methyl 2-[4-(1H-indol-3-yl)butanoylamino]propanoate

C16H20N2O3 — CID 60638102

IUPACmethyl 2-[4-(1H-indol-3-yl)butanoylamino]propanoate
SMILESCOC(=O)C(C)NC(=O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C16H20N2O3/c1-11(16(20)21-2)18-15(19)9-5-6-12-10-17-14-8-4-3-7-13(12)14/h3-4,7-8,10-11,17H,5-6,9H2,1-2H3,(H,18,19)
InChIKeyMUGKYOJWHXLKSJ-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.17
Rot. Bonds6

About methyl 2-[4-(1H-indol-3-yl)butanoylamino]propanoate

methyl 2-[4-(1H-indol-3-yl)butanoylamino]propanoate (PubChem CID 60638102) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is methyl 2-[4-(1H-indol-3-yl)butanoylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-[4-(1H-indol-3-yl)butanoylamino]propanoate
PubChem CID60638102
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Namemethyl 2-[4-(1H-indol-3-yl)butanoylamino]propanoate
SMILESCOC(=O)C(C)NC(=O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C16H20N2O3/c1-11(16(20)21-2)18-15(19)9-5-6-12-10-17-14-8-4-3-7-13(12)14/h3-4,7-8,10-11,17H,5-6,9H2,1-2H3,(H,18,19)
InChIKeyMUGKYOJWHXLKSJ-UHFFFAOYSA-N
XLogP2.17
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[4-(1H-indol-3-yl)butanoylamino]propanoic acid
CID 644229
4-(1H-indol-3-yl)-N-(1-phenylethyl)butanamide
CID 4806761
(2S,3R)-3-hydroxy-2-[4-(1H-indol-3-yl)butanoylamino]butanoate
CID 7678933
N-(1-hydroxy-4-methylpentan-2-yl)-4-(1H-indol-3-yl)butanamide
CID 110902772
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-4-(1H-indol-3-yl)butanamide
CID 51492412
(2S)-2-[4-(1H-indol-3-yl)butanoylamino]-N,4-dimethylpentanamide
CID 52632899
4-(1H-indol-3-yl)butanamide
CID 588715
N-[1-(4-chlorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 42998457
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 7659140
N-[1-(4-bromophenyl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 24544612
2-[3-(1H-indol-3-yl)propanoylamino]-N-methylpropanamide
CID 47315730
N-(2,3-dimethylbutyl)-4-(1H-indol-3-yl)butanamide
CID 64597246

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(1H-indol-3-yl)butanoylamino]propanoate?
The IUPAC name of methyl 2-[4-(1H-indol-3-yl)butanoylamino]propanoate (CID 60638102) is methyl 2-[4-(1H-indol-3-yl)butanoylamino]propanoate.
What is the SMILES notation for methyl 2-[4-(1H-indol-3-yl)butanoylamino]propanoate?
The canonical SMILES for methyl 2-[4-(1H-indol-3-yl)butanoylamino]propanoate is COC(=O)C(C)NC(=O)CCCc1c[nH]c2ccccc12.
What is the InChIKey of methyl 2-[4-(1H-indol-3-yl)butanoylamino]propanoate?
The InChIKey is MUGKYOJWHXLKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11(16(20)21-2)18-15(19)9-5-6-12-10-17-14-8-4-3-7-13(12)14/h3-4,7-8,10-11,17H,5-6,9H2,1-2H3,(H,18,19).
What are the key properties of methyl 2-[4-(1H-indol-3-yl)butanoylamino]propanoate?
methyl 2-[4-(1H-indol-3-yl)butanoylamino]propanoate has a molecular weight of 288.35 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(1H-indol-3-yl)butanoylamino]propanoate is sourced from PubChem (CID 60638102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).