1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-2-cyclobutylacetyl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide

C18H30N6O3 — CID 163300575

IUPAC1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-2-cyclobutylacetyl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide
SMILESNC(=O)CNC(=O)C1CCCN1C(=O)C(C1CCC1)N(N)/C=C(\N)C1CC1
InChIInChI=1S/C18H30N6O3/c19-13(11-6-7-11)10-24(21)16(12-3-1-4-12)18(27)23-8-2-5-14(23)17(26)22-9-15(20)25/h10-12,14,16H,1-9,19,21H2,(H2,20,25)(H,22,26)/b13-10-
InChIKeyPIQBWYPCLOSIML-RAXLEYEMSA-N
MW378.48 g/mol
LogP-0.87
Rot. Bonds8

About 1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-2-cyclobutylacetyl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide

1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-2-cyclobutylacetyl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide (PubChem CID 163300575) has the molecular formula C18H30N6O3 and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-2-cyclobutylacetyl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-2-cyclobutylacetyl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide
PubChem CID163300575
Molecular FormulaC18H30N6O3
Molecular Weight378.48 g/mol
Exact Mass378.24
IUPAC Name1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-2-cyclobutylacetyl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide
SMILESNC(=O)CNC(=O)C1CCCN1C(=O)C(C1CCC1)N(N)/C=C(\N)C1CC1
InChIInChI=1S/C18H30N6O3/c19-13(11-6-7-11)10-24(21)16(12-3-1-4-12)18(27)23-8-2-5-14(23)17(26)22-9-15(20)25/h10-12,14,16H,1-9,19,21H2,(H2,20,25)(H,22,26)/b13-10-
InChIKeyPIQBWYPCLOSIML-RAXLEYEMSA-N
XLogP-0.87
TPSA147.78 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 5-0.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-[(2S)-2-amino-4-methylpentanoyl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide
CID 24838464
(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide
CID 11001956
5-[4-[1-[[1-[2-[amino-[(Z)-2-amino-2-cyclohexylethenyl]amino]-2-(oxan-4-yl)acetyl]pyrrolidine-2-carbonyl]amino]-2-morpholin-4-ylethyl]phenyl]-1,3-thiazole-4-carboxylic acid
CID 171104934
(2S)-1-[(2S)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-4-methylpentanoyl]-N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 101106721
(2S)-1-[(2S)-1-acetylpyrrolidine-2-carbonyl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide;ethane;molecular hydrogen
CID 155720528
3-amino-4-[2-(carboxymethylcarbamoyl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 18219635
(2S)-N-(2-amino-2-oxoethyl)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]acetyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]pyrrolidine-2-carboxamide
CID 25148944
2-[[1-(2-methylpropanoyl)piperidine-2-carbonyl]amino]acetic acid
CID 119350413
(2S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-[(cyclopropanecarbonylamino)methyl]pyrrolidine-2-carboxamide
CID 16755320
2-[[1-[4-amino-2-[(2-amino-3-sulfanylpropanoyl)amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]acetic acid
CID 18255570
2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one;formic acid
CID 163300619
2-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]acetic acid
CID 25134557

Frequently Asked Questions

What is the IUPAC name of 1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-2-cyclobutylacetyl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-2-cyclobutylacetyl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide (CID 163300575) is 1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-2-cyclobutylacetyl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-2-cyclobutylacetyl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-2-cyclobutylacetyl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide is NC(=O)CNC(=O)C1CCCN1C(=O)C(C1CCC1)N(N)/C=C(\N)C1CC1.
What is the InChIKey of 1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-2-cyclobutylacetyl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide?
The InChIKey is PIQBWYPCLOSIML-RAXLEYEMSA-N. The full InChI is InChI=1S/C18H30N6O3/c19-13(11-6-7-11)10-24(21)16(12-3-1-4-12)18(27)23-8-2-5-14(23)17(26)22-9-15(20)25/h10-12,14,16H,1-9,19,21H2,(H2,20,25)(H,22,26)/b13-10-.
What are the key properties of 1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-2-cyclobutylacetyl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide?
1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-2-cyclobutylacetyl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide has a molecular weight of 378.48 g/mol, XLogP of -0.87, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-2-cyclobutylacetyl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 163300575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).