2-[4-(cyclopropanecarbonylamino)butanoylamino]-3-(1H-indol-3-yl)propanoic acid

C19H23N3O4 — CID 119201623

IUPAC2-[4-(cyclopropanecarbonylamino)butanoylamino]-3-(1H-indol-3-yl)propanoic acid
SMILESO=C(CCCNC(=O)C1CC1)NC(Cc1c[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C19H23N3O4/c23-17(6-3-9-20-18(24)12-7-8-12)22-16(19(25)26)10-13-11-21-15-5-2-1-4-14(13)15/h1-2,4-5,11-12,16,21H,3,6-10H2,(H,20,24)(H,22,23)(H,25,26)
InChIKeyQGVKTCKFTCGHPW-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.59
Rot. Bonds9

About 2-[4-(cyclopropanecarbonylamino)butanoylamino]-3-(1H-indol-3-yl)propanoic acid

2-[4-(cyclopropanecarbonylamino)butanoylamino]-3-(1H-indol-3-yl)propanoic acid (PubChem CID 119201623) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-[4-(cyclopropanecarbonylamino)butanoylamino]-3-(1H-indol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-[4-(cyclopropanecarbonylamino)butanoylamino]-3-(1H-indol-3-yl)propanoic acid
PubChem CID119201623
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name2-[4-(cyclopropanecarbonylamino)butanoylamino]-3-(1H-indol-3-yl)propanoic acid
SMILESO=C(CCCNC(=O)C1CC1)NC(Cc1c[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C19H23N3O4/c23-17(6-3-9-20-18(24)12-7-8-12)22-16(19(25)26)10-13-11-21-15-5-2-1-4-14(13)15/h1-2,4-5,11-12,16,21H,3,6-10H2,(H,20,24)(H,22,23)(H,25,26)
InChIKeyQGVKTCKFTCGHPW-UHFFFAOYSA-N
XLogP1.59
TPSA111.29 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-(cyclopropanecarbonylamino)butanoylamino]-3-(1H-indol-3-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(hexadecanoylamino)-3-(1H-indol-3-yl)propanoic acid
CID 10321153
(2S)-2-(docosanoylamino)-3-(1H-indol-3-yl)propanoic acid
CID 171117069
(2S)-2-[4-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]butanoylamino]-3-(1H-indol-3-yl)propanoic acid
CID 166514717
3-(1H-indol-3-yl)-2-(thiane-4-carbonylamino)propanoic acid
CID 120519001
sodium;2-(dodecanoylamino)-3-(1H-indol-3-yl)propanoic acid;hydride
CID 174967996
sodium;hydride;(2S)-3-(1H-indol-3-yl)-2-(octanoylamino)propanoic acid
CID 175251451
(2S)-3-(1H-indol-3-yl)-2-[(2-iodoacetyl)amino]propanoic acid
CID 91089934
(2S)-3-(1H-indol-3-yl)-2-[[2-(propanoylamino)acetyl]amino]propanoic acid
CID 110187482
(2S)-2-[[(3S)-3-(cyclopentanecarbonylamino)butanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 97233904
(2S)-2-[4-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]butanoylamino]-3-sulfanylpropanoic acid
CID 175713689
(2S)-2-[3-(2-chlorophenyl)propanoylamino]-3-(1H-indol-3-yl)propanoic acid
CID 41119859
(2S)-2-[[(Z)-icos-11-enoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 171117064

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropanecarbonylamino)butanoylamino]-3-(1H-indol-3-yl)propanoic acid?
The IUPAC name of 2-[4-(cyclopropanecarbonylamino)butanoylamino]-3-(1H-indol-3-yl)propanoic acid (CID 119201623) is 2-[4-(cyclopropanecarbonylamino)butanoylamino]-3-(1H-indol-3-yl)propanoic acid.
What is the SMILES notation for 2-[4-(cyclopropanecarbonylamino)butanoylamino]-3-(1H-indol-3-yl)propanoic acid?
The canonical SMILES for 2-[4-(cyclopropanecarbonylamino)butanoylamino]-3-(1H-indol-3-yl)propanoic acid is O=C(CCCNC(=O)C1CC1)NC(Cc1c[nH]c2ccccc12)C(=O)O.
What is the InChIKey of 2-[4-(cyclopropanecarbonylamino)butanoylamino]-3-(1H-indol-3-yl)propanoic acid?
The InChIKey is QGVKTCKFTCGHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c23-17(6-3-9-20-18(24)12-7-8-12)22-16(19(25)26)10-13-11-21-15-5-2-1-4-14(13)15/h1-2,4-5,11-12,16,21H,3,6-10H2,(H,20,24)(H,22,23)(H,25,26).
What are the key properties of 2-[4-(cyclopropanecarbonylamino)butanoylamino]-3-(1H-indol-3-yl)propanoic acid?
2-[4-(cyclopropanecarbonylamino)butanoylamino]-3-(1H-indol-3-yl)propanoic acid has a molecular weight of 357.41 g/mol, XLogP of 1.59, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropanecarbonylamino)butanoylamino]-3-(1H-indol-3-yl)propanoic acid is sourced from PubChem (CID 119201623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).