2-[acetyl(cyclopropyl)amino]-2-(1H-indol-3-yl)acetic acid

C15H16N2O3 — CID 83557663

IUPAC2-[acetyl(cyclopropyl)amino]-2-(1H-indol-3-yl)acetic acid
SMILESCC(=O)N(C1CC1)C(C(=O)O)c1c[nH]c2ccccc12
InChIInChI=1S/C15H16N2O3/c1-9(18)17(10-6-7-10)14(15(19)20)12-8-16-13-5-3-2-4-11(12)13/h2-5,8,10,14,16H,6-7H2,1H3,(H,19,20)
InChIKeyCBPYNHLTLQBXOI-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.30
Rot. Bonds4

About 2-[acetyl(cyclopropyl)amino]-2-(1H-indol-3-yl)acetic acid

2-[acetyl(cyclopropyl)amino]-2-(1H-indol-3-yl)acetic acid (PubChem CID 83557663) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[acetyl(cyclopropyl)amino]-2-(1H-indol-3-yl)acetic acid.

Molecular Properties

Compound Name2-[acetyl(cyclopropyl)amino]-2-(1H-indol-3-yl)acetic acid
PubChem CID83557663
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-[acetyl(cyclopropyl)amino]-2-(1H-indol-3-yl)acetic acid
SMILESCC(=O)N(C1CC1)C(C(=O)O)c1c[nH]c2ccccc12
InChIInChI=1S/C15H16N2O3/c1-9(18)17(10-6-7-10)14(15(19)20)12-8-16-13-5-3-2-4-11(12)13/h2-5,8,10,14,16H,6-7H2,1H3,(H,19,20)
InChIKeyCBPYNHLTLQBXOI-UHFFFAOYSA-N
XLogP2.30
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1H-indol-3-yl)ethyl]-N-methylacetamide
CID 50916095
2-(1H-indol-3-yl)-4-methylpentanoic acid
CID 83644825
(3S)-3-(1H-indol-3-yl)pentanoic acid
CID 7446864
3-(1H-indol-3-yl)pentanoic acid
CID 12616752
2-(1H-indol-3-yl)butanedioic acid
CID 588708
2-(1H-indol-3-yl)-3-methylbutanedioic acid
CID 57149405
2-(1H-indol-3-yl)-2-(methylamino)acetic acid
CID 82469928
4-(dimethylamino)-4-(1H-indol-3-yl)-2-methylbutanoic acid
CID 116908267
2-[dimethylamino(1H-indol-3-yl)methyl]butanoic acid
CID 116913114
2-[1H-indol-3-yl(methylamino)methyl]butanoic acid
CID 116959705
N-cyclopropyl-2-(1H-indol-3-yl)-N-methylacetamide
CID 43421962
5-cyclohexyl-2-(1H-indol-3-yl)-4-oxopentanoic acid
CID 175403054

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(cyclopropyl)amino]-2-(1H-indol-3-yl)acetic acid?
The IUPAC name of 2-[acetyl(cyclopropyl)amino]-2-(1H-indol-3-yl)acetic acid (CID 83557663) is 2-[acetyl(cyclopropyl)amino]-2-(1H-indol-3-yl)acetic acid.
What is the SMILES notation for 2-[acetyl(cyclopropyl)amino]-2-(1H-indol-3-yl)acetic acid?
The canonical SMILES for 2-[acetyl(cyclopropyl)amino]-2-(1H-indol-3-yl)acetic acid is CC(=O)N(C1CC1)C(C(=O)O)c1c[nH]c2ccccc12.
What is the InChIKey of 2-[acetyl(cyclopropyl)amino]-2-(1H-indol-3-yl)acetic acid?
The InChIKey is CBPYNHLTLQBXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-9(18)17(10-6-7-10)14(15(19)20)12-8-16-13-5-3-2-4-11(12)13/h2-5,8,10,14,16H,6-7H2,1H3,(H,19,20).
What are the key properties of 2-[acetyl(cyclopropyl)amino]-2-(1H-indol-3-yl)acetic acid?
2-[acetyl(cyclopropyl)amino]-2-(1H-indol-3-yl)acetic acid has a molecular weight of 272.30 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(cyclopropyl)amino]-2-(1H-indol-3-yl)acetic acid is sourced from PubChem (CID 83557663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).