2-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]acetic acid

C10H15NO3 — CID 24689598

IUPAC2-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)CC1C=CCC1
InChIInChI=1S/C10H15NO3/c1-11(7-10(13)14)9(12)6-8-4-2-3-5-8/h2,4,8H,3,5-7H2,1H3,(H,13,14)
InChIKeyCNHPUQJZUWCKRC-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.89
Rot. Bonds4

About 2-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]acetic acid

2-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]acetic acid (PubChem CID 24689598) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]acetic acid
PubChem CID24689598
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name2-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)CC1C=CCC1
InChIInChI=1S/C10H15NO3/c1-11(7-10(13)14)9(12)6-8-4-2-3-5-8/h2,4,8H,3,5-7H2,1H3,(H,13,14)
InChIKeyCNHPUQJZUWCKRC-UHFFFAOYSA-N
XLogP0.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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2-[(2-Cyclopent-2-en-1-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid
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2-[Cyclohex-3-ene-1-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258212
2-[Cyclopent-3-ene-1-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258538
(S)-2-((S)-N,2-Dimethylhexanamido)pent-4-enoic acid
CID 59423740
(S)-2-((R)-N,2-dimethylhexanamido)pent-4-enoic acid
CID 59423795
(2S)-2-[2-ethylhexanoyl(methyl)amino]pent-4-enoic acid
CID 59423801
2-[(3S)-3-butyl-2-oxopyrrolidin-1-yl]hex-4-enoic acid
CID 69409474
2-[Methyl(2-methylhexanoyl)amino]pent-4-enoic acid
CID 72280378
2-[[(2S)-but-3-en-2-yl]-[(2S)-2-methylhexanoyl]amino]acetic acid
CID 87460472
carboxymethyl-(2-ethylhexyl)-methyl-[(Z)-octadec-9-enoyl]azanium
CID 90229802

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]acetic acid?
The IUPAC name of 2-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]acetic acid (CID 24689598) is 2-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]acetic acid is CN(CC(=O)O)C(=O)CC1C=CCC1.
What is the InChIKey of 2-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]acetic acid?
The InChIKey is CNHPUQJZUWCKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-11(7-10(13)14)9(12)6-8-4-2-3-5-8/h2,4,8H,3,5-7H2,1H3,(H,13,14).
What are the key properties of 2-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]acetic acid?
2-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]acetic acid has a molecular weight of 197.23 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopent-2-en-1-ylacetyl)-methylamino]acetic acid is sourced from PubChem (CID 24689598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).