N-[2-[[1-(1H-indol-3-yl)-3-oxopropan-2-yl]amino]-2-oxoethyl]-5-oxopyrrolidine-2-carboxamide;methanol;2-(methylamino)acetaldehyde;(Z)-N-methyl-1-(methylideneamino)prop-1-en-2-amine

C27H41N7O6 — CID 144728247

IUPACN-[2-[[1-(1H-indol-3-yl)-3-oxopropan-2-yl]amino]-2-oxoethyl]-5-oxopyrrolidine-2-carboxamide;methanol;2-(methylamino)acetaldehyde;(Z)-N-methyl-1-(methylideneamino)prop-1-en-2-amine
SMILESC=N/C=C(/C)NC.CNCC=O.CO.O=CC(Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)C1CCC(=O)N1
InChIInChI=1S/C18H20N4O4.C5H10N2.C3H7NO.CH4O/c23-10-12(7-11-8-19-14-4-2-1-3-13(11)14)21-17(25)9-20-18(26)15-5-6-16(24)22-15;1-5(7-3)4-6-2;1-4-2-3-5;1-2/h1-4,8,10,12,15,19H,5-7,9H2,(H,20,26)(H,21,25)(H,22,24);4,7H,2H2,1,3H3;3-4H,2H2,1H3;2H,1H3/b;5-4-;;
InChIKeyRQNUORIJBNVWKQ-ZGVDEOGJSA-N
MW559.67 g/mol
LogP-0.43
Rot. Bonds11

About N-[2-[[1-(1H-indol-3-yl)-3-oxopropan-2-yl]amino]-2-oxoethyl]-5-oxopyrrolidine-2-carboxamide;methanol;2-(methylamino)acetaldehyde;(Z)-N-methyl-1-(methylideneamino)prop-1-en-2-amine

N-[2-[[1-(1H-indol-3-yl)-3-oxopropan-2-yl]amino]-2-oxoethyl]-5-oxopyrrolidine-2-carboxamide;methanol;2-(methylamino)acetaldehyde;(Z)-N-methyl-1-(methylideneamino)prop-1-en-2-amine (PubChem CID 144728247) has the molecular formula C27H41N7O6 and a molecular weight of 559.67 g/mol. Its IUPAC name is N-[2-[[1-(1H-indol-3-yl)-3-oxopropan-2-yl]amino]-2-oxoethyl]-5-oxopyrrolidine-2-carboxamide;methanol;2-(methylamino)acetaldehyde;(Z)-N-methyl-1-(methylideneamino)prop-1-en-2-amine.

Molecular Properties

Compound NameN-[2-[[1-(1H-indol-3-yl)-3-oxopropan-2-yl]amino]-2-oxoethyl]-5-oxopyrrolidine-2-carboxamide;methanol;2-(methylamino)acetaldehyde;(Z)-N-methyl-1-(methylideneamino)prop-1-en-2-amine
PubChem CID144728247
Molecular FormulaC27H41N7O6
Molecular Weight559.67 g/mol
Exact Mass559.31
IUPAC NameN-[2-[[1-(1H-indol-3-yl)-3-oxopropan-2-yl]amino]-2-oxoethyl]-5-oxopyrrolidine-2-carboxamide;methanol;2-(methylamino)acetaldehyde;(Z)-N-methyl-1-(methylideneamino)prop-1-en-2-amine
SMILESC=N/C=C(/C)NC.CNCC=O.CO.O=CC(Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)C1CCC(=O)N1
InChIInChI=1S/C18H20N4O4.C5H10N2.C3H7NO.CH4O/c23-10-12(7-11-8-19-14-4-2-1-3-13(11)14)21-17(25)9-20-18(26)15-5-6-16(24)22-15;1-5(7-3)4-6-2;1-4-2-3-5;1-2/h1-4,8,10,12,15,19H,5-7,9H2,(H,20,26)(H,21,25)(H,22,24);4,7H,2H2,1,3H3;3-4H,2H2,1H3;2H,1H3/b;5-4-;;
InChIKeyRQNUORIJBNVWKQ-ZGVDEOGJSA-N
XLogP-0.43
TPSA193.88 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.67
LogP ≤ 5-0.43
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[2-[[1-(1H-indol-3-yl)-3-oxopropan-2-yl]amino]-2-oxoethyl]-5-oxopyrrolidine-2-carboxamide;methanol;2-(methylamino)acetaldehyde;(Z)-N-methyl-1-(methylideneamino)prop-1-en-2-amine with MolForge

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Related Compounds

3-(1H-indol-3-yl)-2-[(5-oxopyrrolidine-2-carbonyl)amino]propanoic acid;hydrate
CID 70535842
(2S)-N-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-5-oxopyrrolidine-2-carboxamide
CID 3082942
2-(dimethylamino)-N-[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]acetamide
CID 122692537
(2S)-2-amino-N-[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]-3-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]imidazol-4-yl]propanamide
CID 57001394
2-aminooxy-N-[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]acetamide
CID 89438792
(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-3-hydroxy-1-(methylamino)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 146644566
6-amino-2-[[3-(1H-indol-3-yl)-2-[(5-oxopyrrolidine-2-carbonyl)amino]propanoyl]amino]hexanoic acid
CID 91746362
ethane;methanamine;3-(2-methylpropyl)-1H-indole;N-(2-oxoethyl)acetamide;propane
CID 168915443
(2S)-2-amino-N-[(2S)-1-[deuterio-[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-(1H-indol-3-yl)propanamide
CID 123380763
methyl (2R)-2-[[2-(cyclohexanecarbonylamino)acetyl]amino]-3-(1H-indol-3-yl)propanoate
CID 18105767
(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 70585786
(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid;hydrochloride
CID 142761359

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(1H-indol-3-yl)-3-oxopropan-2-yl]amino]-2-oxoethyl]-5-oxopyrrolidine-2-carboxamide;methanol;2-(methylamino)acetaldehyde;(Z)-N-methyl-1-(methylideneamino)prop-1-en-2-amine?
The IUPAC name of N-[2-[[1-(1H-indol-3-yl)-3-oxopropan-2-yl]amino]-2-oxoethyl]-5-oxopyrrolidine-2-carboxamide;methanol;2-(methylamino)acetaldehyde;(Z)-N-methyl-1-(methylideneamino)prop-1-en-2-amine (CID 144728247) is N-[2-[[1-(1H-indol-3-yl)-3-oxopropan-2-yl]amino]-2-oxoethyl]-5-oxopyrrolidine-2-carboxamide;methanol;2-(methylamino)acetaldehyde;(Z)-N-methyl-1-(methylideneamino)prop-1-en-2-amine.
What is the SMILES notation for N-[2-[[1-(1H-indol-3-yl)-3-oxopropan-2-yl]amino]-2-oxoethyl]-5-oxopyrrolidine-2-carboxamide;methanol;2-(methylamino)acetaldehyde;(Z)-N-methyl-1-(methylideneamino)prop-1-en-2-amine?
The canonical SMILES for N-[2-[[1-(1H-indol-3-yl)-3-oxopropan-2-yl]amino]-2-oxoethyl]-5-oxopyrrolidine-2-carboxamide;methanol;2-(methylamino)acetaldehyde;(Z)-N-methyl-1-(methylideneamino)prop-1-en-2-amine is C=N/C=C(/C)NC.CNCC=O.CO.O=CC(Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)C1CCC(=O)N1.
What is the InChIKey of N-[2-[[1-(1H-indol-3-yl)-3-oxopropan-2-yl]amino]-2-oxoethyl]-5-oxopyrrolidine-2-carboxamide;methanol;2-(methylamino)acetaldehyde;(Z)-N-methyl-1-(methylideneamino)prop-1-en-2-amine?
The InChIKey is RQNUORIJBNVWKQ-ZGVDEOGJSA-N. The full InChI is InChI=1S/C18H20N4O4.C5H10N2.C3H7NO.CH4O/c23-10-12(7-11-8-19-14-4-2-1-3-13(11)14)21-17(25)9-20-18(26)15-5-6-16(24)22-15;1-5(7-3)4-6-2;1-4-2-3-5;1-2/h1-4,8,10,12,15,19H,5-7,9H2,(H,20,26)(H,21,25)(H,22,24);4,7H,2H2,1,3H3;3-4H,2H2,1H3;2H,1H3/b;5-4-;;.
What are the key properties of N-[2-[[1-(1H-indol-3-yl)-3-oxopropan-2-yl]amino]-2-oxoethyl]-5-oxopyrrolidine-2-carboxamide;methanol;2-(methylamino)acetaldehyde;(Z)-N-methyl-1-(methylideneamino)prop-1-en-2-amine?
N-[2-[[1-(1H-indol-3-yl)-3-oxopropan-2-yl]amino]-2-oxoethyl]-5-oxopyrrolidine-2-carboxamide;methanol;2-(methylamino)acetaldehyde;(Z)-N-methyl-1-(methylideneamino)prop-1-en-2-amine has a molecular weight of 559.67 g/mol, XLogP of -0.43, 11 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(1H-indol-3-yl)-3-oxopropan-2-yl]amino]-2-oxoethyl]-5-oxopyrrolidine-2-carboxamide;methanol;2-(methylamino)acetaldehyde;(Z)-N-methyl-1-(methylideneamino)prop-1-en-2-amine is sourced from PubChem (CID 144728247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).