2-[ethyl-[3-(1H-indol-5-yl)propanoyl]amino]acetic acid

C15H18N2O3 — CID 120519645

IUPAC2-[ethyl-[3-(1H-indol-5-yl)propanoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)CCc1ccc2[nH]ccc2c1
InChIInChI=1S/C15H18N2O3/c1-2-17(10-15(19)20)14(18)6-4-11-3-5-13-12(9-11)7-8-16-13/h3,5,7-9,16H,2,4,6,10H2,1H3,(H,19,20)
InChIKeyUBEMSRBXKIAJEF-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.03
Rot. Bonds6

About 2-[ethyl-[3-(1H-indol-5-yl)propanoyl]amino]acetic acid

2-[ethyl-[3-(1H-indol-5-yl)propanoyl]amino]acetic acid (PubChem CID 120519645) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[ethyl-[3-(1H-indol-5-yl)propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[3-(1H-indol-5-yl)propanoyl]amino]acetic acid
PubChem CID120519645
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-[ethyl-[3-(1H-indol-5-yl)propanoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)CCc1ccc2[nH]ccc2c1
InChIInChI=1S/C15H18N2O3/c1-2-17(10-15(19)20)14(18)6-4-11-3-5-13-12(9-11)7-8-16-13/h3,5,7-9,16H,2,4,6,10H2,1H3,(H,19,20)
InChIKeyUBEMSRBXKIAJEF-UHFFFAOYSA-N
XLogP2.03
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,5-dimethoxyphenyl)methyl-[3-(1H-indol-5-yl)propanoyl]amino]acetic acid
CID 120518080
ethyl 3-(1H-indol-5-yl)propanoate
CID 73357468
1-(1H-indol-5-yl)-4-methylpentan-3-one
CID 22572822
N-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-3-(1H-indol-5-yl)propanamide
CID 84598863
3-[3-(1H-indol-5-yl)propanoylamino]butanoic acid
CID 120522675
3-(1H-indol-5-yl)-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 75444249
2-[carboxymethyl-[3-(4-ethylphenyl)propanoyl]amino]acetic acid
CID 63645904
2-[4-(3,4-dichlorophenyl)butanoyl-ethylamino]acetic acid
CID 119205864
3-(1H-indol-6-yl)propanoic acid
CID 23178857
2-[4-(4-chlorophenyl)butanoyl-ethylamino]acetic acid
CID 119205856
2-[3-(3-cyclopentyloxyphenyl)propanoyl-ethylamino]acetic acid
CID 119206123
4-[4-[2-(1H-indol-5-yl)ethoxy]phenyl]butan-2-one
CID 175853816

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-(1H-indol-5-yl)propanoyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[3-(1H-indol-5-yl)propanoyl]amino]acetic acid (CID 120519645) is 2-[ethyl-[3-(1H-indol-5-yl)propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[3-(1H-indol-5-yl)propanoyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[3-(1H-indol-5-yl)propanoyl]amino]acetic acid is CCN(CC(=O)O)C(=O)CCc1ccc2[nH]ccc2c1.
What is the InChIKey of 2-[ethyl-[3-(1H-indol-5-yl)propanoyl]amino]acetic acid?
The InChIKey is UBEMSRBXKIAJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-2-17(10-15(19)20)14(18)6-4-11-3-5-13-12(9-11)7-8-16-13/h3,5,7-9,16H,2,4,6,10H2,1H3,(H,19,20).
What are the key properties of 2-[ethyl-[3-(1H-indol-5-yl)propanoyl]amino]acetic acid?
2-[ethyl-[3-(1H-indol-5-yl)propanoyl]amino]acetic acid has a molecular weight of 274.32 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[3-(1H-indol-5-yl)propanoyl]amino]acetic acid is sourced from PubChem (CID 120519645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).