3-(cyclopent-3-ene-1-carbonylamino)-2,2-dimethylpropanoic acid

C11H17NO3 — CID 81369711

IUPAC3-(cyclopent-3-ene-1-carbonylamino)-2,2-dimethylpropanoic acid
SMILESCC(C)(CNC(=O)C1CC=CC1)C(=O)O
InChIInChI=1S/C11H17NO3/c1-11(2,10(14)15)7-12-9(13)8-5-3-4-6-8/h3-4,8H,5-7H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyRZPNJQPNQQWGAT-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.18
Rot. Bonds4

About 3-(cyclopent-3-ene-1-carbonylamino)-2,2-dimethylpropanoic acid

3-(cyclopent-3-ene-1-carbonylamino)-2,2-dimethylpropanoic acid (PubChem CID 81369711) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-(cyclopent-3-ene-1-carbonylamino)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(cyclopent-3-ene-1-carbonylamino)-2,2-dimethylpropanoic acid
PubChem CID81369711
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name3-(cyclopent-3-ene-1-carbonylamino)-2,2-dimethylpropanoic acid
SMILESCC(C)(CNC(=O)C1CC=CC1)C(=O)O
InChIInChI=1S/C11H17NO3/c1-11(2,10(14)15)7-12-9(13)8-5-3-4-6-8/h3-4,8H,5-7H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyRZPNJQPNQQWGAT-UHFFFAOYSA-N
XLogP1.18
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-3-[(3-methylcyclobutanecarbonyl)amino]propanoic acid
CID 115910003
N-(2-bromo-2,2-difluoroethyl)cyclopent-3-ene-1-carboxamide
CID 131089537
(1R)-N-[3-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]-2,2-dimethylpropyl]cyclohex-3-ene-1-carboxamide
CID 95621362
3-[(2,2-dimethylcyclopropanecarbonyl)amino]-2,2-dimethylpropanoic acid
CID 106703571
3-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 81369311
2,2-dimethyl-3-[(1-methylsulfonylpiperidine-4-carbonyl)amino]propanoic acid
CID 81367181
2,2-dimethyl-3-[(2-methyloxane-4-carbonyl)amino]propanoic acid
CID 120527941
2,2-dimethyl-3-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]propanoic acid
CID 81368776
3-[(1-benzylpiperidine-4-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 119250204
2,2-dimethyl-3-[[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]amino]propanoic acid
CID 124570818
3-(cyclopent-3-ene-1-carbonylamino)propanoic acid
CID 64767078
3-(cyclopent-3-ene-1-carbonylamino)-3-methylbutanoic acid
CID 64767006

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopent-3-ene-1-carbonylamino)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(cyclopent-3-ene-1-carbonylamino)-2,2-dimethylpropanoic acid (CID 81369711) is 3-(cyclopent-3-ene-1-carbonylamino)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(cyclopent-3-ene-1-carbonylamino)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(cyclopent-3-ene-1-carbonylamino)-2,2-dimethylpropanoic acid is CC(C)(CNC(=O)C1CC=CC1)C(=O)O.
What is the InChIKey of 3-(cyclopent-3-ene-1-carbonylamino)-2,2-dimethylpropanoic acid?
The InChIKey is RZPNJQPNQQWGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-11(2,10(14)15)7-12-9(13)8-5-3-4-6-8/h3-4,8H,5-7H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 3-(cyclopent-3-ene-1-carbonylamino)-2,2-dimethylpropanoic acid?
3-(cyclopent-3-ene-1-carbonylamino)-2,2-dimethylpropanoic acid has a molecular weight of 211.26 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopent-3-ene-1-carbonylamino)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 81369711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).