(4R)-5-(dipropylamino)-4-(1H-indole-2-carbonylamino)-5-oxopentanoic acid

C20H27N3O4 — CID 14720390

IUPAC(4R)-5-(dipropylamino)-4-(1H-indole-2-carbonylamino)-5-oxopentanoic acid
SMILESCCCN(CCC)C(=O)[C@@H](CCC(=O)O)NC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C20H27N3O4/c1-3-11-23(12-4-2)20(27)16(9-10-18(24)25)22-19(26)17-13-14-7-5-6-8-15(14)21-17/h5-8,13,16,21H,3-4,9-12H2,1-2H3,(H,22,26)(H,24,25)/t16-/m1/s1
InChIKeyXKEPEJGXYZMKLY-MRXNPFEDSA-N
MW373.45 g/mol
LogP2.78
Rot. Bonds10

About (4R)-5-(dipropylamino)-4-(1H-indole-2-carbonylamino)-5-oxopentanoic acid

(4R)-5-(dipropylamino)-4-(1H-indole-2-carbonylamino)-5-oxopentanoic acid (PubChem CID 14720390) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is (4R)-5-(dipropylamino)-4-(1H-indole-2-carbonylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name(4R)-5-(dipropylamino)-4-(1H-indole-2-carbonylamino)-5-oxopentanoic acid
PubChem CID14720390
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name(4R)-5-(dipropylamino)-4-(1H-indole-2-carbonylamino)-5-oxopentanoic acid
SMILESCCCN(CCC)C(=O)[C@@H](CCC(=O)O)NC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C20H27N3O4/c1-3-11-23(12-4-2)20(27)16(9-10-18(24)25)22-19(26)17-13-14-7-5-6-8-15(14)21-17/h5-8,13,16,21H,3-4,9-12H2,1-2H3,(H,22,26)(H,24,25)/t16-/m1/s1
InChIKeyXKEPEJGXYZMKLY-MRXNPFEDSA-N
XLogP2.78
TPSA102.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-cyclohexylpropyl-[(2S)-2-(1H-indole-2-carbonylamino)hexanoyl]amino]acetic acid
CID 57263044
(2R)-4-hydroxy-2-(1H-indole-2-carbonylamino)butanoic acid
CID 107823080
N-(4-hydroxybutan-2-yl)-1H-indole-2-carboxamide
CID 81042932
(2S)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]pentanedioic acid
CID 151134503
N-[(2R)-1-[2-(3-amino-3-oxopropyl)-2-[(2S)-2-chloro-2-fluoroacetyl]hydrazinyl]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
CID 162739271
N-[(2S)-1-[2-(3-amino-3-oxopropyl)-2-[(2R)-2-chloro-2-fluoroacetyl]hydrazinyl]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide;N-[(2S)-1-[2-(3-amino-3-oxopropyl)-2-[(2S)-2-chloro-2-fluoroacetyl]hydrazinyl]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
CID 163439758
N-[(1R)-1-cyanoethyl]-1H-indole-2-carboxamide
CID 95253875
N-hex-5-yn-3-yl-1H-indole-2-carboxamide
CID 115647369
methyl 3-(1H-indole-2-carbonylamino)pentanoate
CID 112533189
2-[[(2S)-2-(1H-indole-2-carbonylamino)-4-methylpentanoyl]amino]octanediamide
CID 171530236
(2S)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]pentanoic acid
CID 107564052
methyl 2-(1H-indole-2-carbonylamino)-3-tritylsulfanylpropanoate
CID 71183941

Frequently Asked Questions

What is the IUPAC name of (4R)-5-(dipropylamino)-4-(1H-indole-2-carbonylamino)-5-oxopentanoic acid?
The IUPAC name of (4R)-5-(dipropylamino)-4-(1H-indole-2-carbonylamino)-5-oxopentanoic acid (CID 14720390) is (4R)-5-(dipropylamino)-4-(1H-indole-2-carbonylamino)-5-oxopentanoic acid.
What is the SMILES notation for (4R)-5-(dipropylamino)-4-(1H-indole-2-carbonylamino)-5-oxopentanoic acid?
The canonical SMILES for (4R)-5-(dipropylamino)-4-(1H-indole-2-carbonylamino)-5-oxopentanoic acid is CCCN(CCC)C(=O)[C@@H](CCC(=O)O)NC(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of (4R)-5-(dipropylamino)-4-(1H-indole-2-carbonylamino)-5-oxopentanoic acid?
The InChIKey is XKEPEJGXYZMKLY-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-3-11-23(12-4-2)20(27)16(9-10-18(24)25)22-19(26)17-13-14-7-5-6-8-15(14)21-17/h5-8,13,16,21H,3-4,9-12H2,1-2H3,(H,22,26)(H,24,25)/t16-/m1/s1.
What are the key properties of (4R)-5-(dipropylamino)-4-(1H-indole-2-carbonylamino)-5-oxopentanoic acid?
(4R)-5-(dipropylamino)-4-(1H-indole-2-carbonylamino)-5-oxopentanoic acid has a molecular weight of 373.45 g/mol, XLogP of 2.78, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-(dipropylamino)-4-(1H-indole-2-carbonylamino)-5-oxopentanoic acid is sourced from PubChem (CID 14720390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).