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

C16H18N2O3 — CID 43655190

IUPAC2-[cyclopropylmethyl-[2-(1H-indol-3-yl)acetyl]amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C16H18N2O3/c19-15(18(10-16(20)21)9-11-5-6-11)7-12-8-17-14-4-2-1-3-13(12)14/h1-4,8,11,17H,5-7,9-10H2,(H,20,21)
InChIKeyIKDBDJXEEGFYIE-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.03
Rot. Bonds6

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

2-[cyclopropylmethyl-[2-(1H-indol-3-yl)acetyl]amino]acetic acid (PubChem CID 43655190) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[2-(1H-indol-3-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[2-(1H-indol-3-yl)acetyl]amino]acetic acid
PubChem CID43655190
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-[cyclopropylmethyl-[2-(1H-indol-3-yl)acetyl]amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C16H18N2O3/c19-15(18(10-16(20)21)9-11-5-6-11)7-12-8-17-14-4-2-1-3-13(12)14/h1-4,8,11,17H,5-7,9-10H2,(H,20,21)
InChIKeyIKDBDJXEEGFYIE-UHFFFAOYSA-N
XLogP2.03
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-2-(1H-indol-3-yl)-N-prop-2-ynylacetamide
CID 115532673
2-[[2-(1H-indol-3-yl)acetyl]-methylamino]acetic acid
CID 24707532
N-(cyclohexylmethyl)-2-(1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 42778803
N-cyclopropyl-2-(1H-indol-3-yl)-N-methylacetamide
CID 43421962
N-(cyclohexylmethyl)-2-(1H-indol-3-yl)-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 42778811
1-cyclopentyl-2-(1H-indol-3-yl)ethanone
CID 126509630
CID 87710053
CID 87710053
2-[4-(1H-indol-3-yl)butanoyl-(2-methylpropyl)amino]acetic acid
CID 119192587
2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol
CID 157231418
2-[2-cyclohexylethyl-[2-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylpropanoyl]amino]acetic acid
CID 67874514
N-cyclopropyl-2-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 46124380
4-cyclopentyl-1-(1H-indol-3-yl)butan-2-one
CID 11817694

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[2-(1H-indol-3-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[2-(1H-indol-3-yl)acetyl]amino]acetic acid (CID 43655190) is 2-[cyclopropylmethyl-[2-(1H-indol-3-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[2-(1H-indol-3-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[2-(1H-indol-3-yl)acetyl]amino]acetic acid is O=C(O)CN(CC1CC1)C(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of 2-[cyclopropylmethyl-[2-(1H-indol-3-yl)acetyl]amino]acetic acid?
The InChIKey is IKDBDJXEEGFYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-15(18(10-16(20)21)9-11-5-6-11)7-12-8-17-14-4-2-1-3-13(12)14/h1-4,8,11,17H,5-7,9-10H2,(H,20,21).
What are the key properties of 2-[cyclopropylmethyl-[2-(1H-indol-3-yl)acetyl]amino]acetic acid?
2-[cyclopropylmethyl-[2-(1H-indol-3-yl)acetyl]amino]acetic acid has a molecular weight of 286.33 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-[cyclopropylmethyl-[2-(1H-indol-3-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 43655190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).