3-[1H-indole-3-carbonyl(propan-2-yl)amino]propanoic acid

C15H18N2O3 — CID 60830552

IUPAC3-[1H-indole-3-carbonyl(propan-2-yl)amino]propanoic acid
SMILESCC(C)N(CCC(=O)O)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C15H18N2O3/c1-10(2)17(8-7-14(18)19)15(20)12-9-16-13-6-4-3-5-11(12)13/h3-6,9-10,16H,7-8H2,1-2H3,(H,18,19)
InChIKeySEXFEBXUNYBYNK-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.49
Rot. Bonds5

About 3-[1H-indole-3-carbonyl(propan-2-yl)amino]propanoic acid

3-[1H-indole-3-carbonyl(propan-2-yl)amino]propanoic acid (PubChem CID 60830552) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-[1H-indole-3-carbonyl(propan-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[1H-indole-3-carbonyl(propan-2-yl)amino]propanoic acid
PubChem CID60830552
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name3-[1H-indole-3-carbonyl(propan-2-yl)amino]propanoic acid
SMILESCC(C)N(CCC(=O)O)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C15H18N2O3/c1-10(2)17(8-7-14(18)19)15(20)12-9-16-13-6-4-3-5-11(12)13/h3-6,9-10,16H,7-8H2,1-2H3,(H,18,19)
InChIKeySEXFEBXUNYBYNK-UHFFFAOYSA-N
XLogP2.49
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1H-indole-4-carbonyl(propan-2-yl)amino]propanoic acid
CID 60832436
3-[(2-hydroxybenzoyl)-propan-2-ylamino]propanoic acid
CID 60830374
N-benzyl-6-chloro-N-propan-2-yl-1H-indole-3-carboxamide
CID 113206400
butanedioic acid;bis(N-[2-(1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine)
CID 175918021
3-[propan-2-yl-[2-(trifluoromethyl)benzoyl]amino]propanoic acid
CID 60830546
N-[3-[acetyl(propan-2-yl)amino]propyl]-2-(1H-indol-3-yl)acetamide
CID 47042094
N-(3-methyl-2-oxobutyl)-1H-indole-3-carboxamide
CID 59531603
N-[(2S)-4-(dimethylamino)butan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 66664820
6-amino-N-(3-hydroxypropyl)-N-propan-2-yl-1H-indole-3-carboxamide
CID 61138342
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-3-carboxamide
CID 60659810
N-(2-methylbutyl)-1H-indole-3-carboxamide
CID 62694409
N-(2-hydroxy-3-methylbutyl)-1H-indole-3-carboxamide
CID 113268799

Frequently Asked Questions

What is the IUPAC name of 3-[1H-indole-3-carbonyl(propan-2-yl)amino]propanoic acid?
The IUPAC name of 3-[1H-indole-3-carbonyl(propan-2-yl)amino]propanoic acid (CID 60830552) is 3-[1H-indole-3-carbonyl(propan-2-yl)amino]propanoic acid.
What is the SMILES notation for 3-[1H-indole-3-carbonyl(propan-2-yl)amino]propanoic acid?
The canonical SMILES for 3-[1H-indole-3-carbonyl(propan-2-yl)amino]propanoic acid is CC(C)N(CCC(=O)O)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of 3-[1H-indole-3-carbonyl(propan-2-yl)amino]propanoic acid?
The InChIKey is SEXFEBXUNYBYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10(2)17(8-7-14(18)19)15(20)12-9-16-13-6-4-3-5-11(12)13/h3-6,9-10,16H,7-8H2,1-2H3,(H,18,19).
What are the key properties of 3-[1H-indole-3-carbonyl(propan-2-yl)amino]propanoic acid?
3-[1H-indole-3-carbonyl(propan-2-yl)amino]propanoic acid has a molecular weight of 274.32 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1H-indole-3-carbonyl(propan-2-yl)amino]propanoic acid is sourced from PubChem (CID 60830552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).