3-cyclopropyl-2-[(2,2-dimethylcyclopentanecarbonyl)amino]propanoic acid

C14H23NO3 — CID 112734984

IUPAC3-cyclopropyl-2-[(2,2-dimethylcyclopentanecarbonyl)amino]propanoic acid
SMILESCC1(C)CCCC1C(=O)NC(CC1CC1)C(=O)O
InChIInChI=1S/C14H23NO3/c1-14(2)7-3-4-10(14)12(16)15-11(13(17)18)8-9-5-6-9/h9-11H,3-8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyCURIEFMFHNLKOL-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.18
Rot. Bonds5

About 3-cyclopropyl-2-[(2,2-dimethylcyclopentanecarbonyl)amino]propanoic acid

3-cyclopropyl-2-[(2,2-dimethylcyclopentanecarbonyl)amino]propanoic acid (PubChem CID 112734984) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 3-cyclopropyl-2-[(2,2-dimethylcyclopentanecarbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-2-[(2,2-dimethylcyclopentanecarbonyl)amino]propanoic acid
PubChem CID112734984
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name3-cyclopropyl-2-[(2,2-dimethylcyclopentanecarbonyl)amino]propanoic acid
SMILESCC1(C)CCCC1C(=O)NC(CC1CC1)C(=O)O
InChIInChI=1S/C14H23NO3/c1-14(2)7-3-4-10(14)12(16)15-11(13(17)18)8-9-5-6-9/h9-11H,3-8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyCURIEFMFHNLKOL-UHFFFAOYSA-N
XLogP2.18
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,2-dimethylcyclopentanecarbonyl)amino]-4-methylpentanoic acid
CID 107175022
(2S)-2-[(2,2-dimethylcyclopentanecarbonyl)amino]propanoic acid
CID 107175295
2-[(2,2-dimethylcyclohexanecarbonyl)amino]-4-methoxybutanoic acid
CID 107175397
(2R)-2-[(2,2-dimethylcyclohexanecarbonyl)amino]propanoic acid
CID 107175360
N-(4-hydroxy-3-methylbutan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104920362
5-[(2,2-dimethylcyclopentanecarbonyl)amino]hexanoic acid
CID 107175880
N-(1-bromo-3-methylbutan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107184210
3-cyclopropyl-2-(tricyclo[3.2.1.02,4]octane-3-carbonylamino)propanoic acid
CID 113354348
2,2-dimethyl-N-propan-2-yloxycyclopentane-1-carboxamide
CID 131043237
2,2-dimethyl-N-(3-oxobutan-2-yl)cyclohexane-1-carboxamide
CID 107178837
N-(1-hydroxy-3-methylbutan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107180427
(2S)-2-[(2,2-dimethylcyclohexanecarbonyl)amino]-2-phenylacetic acid
CID 107175933

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-[(2,2-dimethylcyclopentanecarbonyl)amino]propanoic acid?
The IUPAC name of 3-cyclopropyl-2-[(2,2-dimethylcyclopentanecarbonyl)amino]propanoic acid (CID 112734984) is 3-cyclopropyl-2-[(2,2-dimethylcyclopentanecarbonyl)amino]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-2-[(2,2-dimethylcyclopentanecarbonyl)amino]propanoic acid?
The canonical SMILES for 3-cyclopropyl-2-[(2,2-dimethylcyclopentanecarbonyl)amino]propanoic acid is CC1(C)CCCC1C(=O)NC(CC1CC1)C(=O)O.
What is the InChIKey of 3-cyclopropyl-2-[(2,2-dimethylcyclopentanecarbonyl)amino]propanoic acid?
The InChIKey is CURIEFMFHNLKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-14(2)7-3-4-10(14)12(16)15-11(13(17)18)8-9-5-6-9/h9-11H,3-8H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 3-cyclopropyl-2-[(2,2-dimethylcyclopentanecarbonyl)amino]propanoic acid?
3-cyclopropyl-2-[(2,2-dimethylcyclopentanecarbonyl)amino]propanoic acid has a molecular weight of 253.34 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-[(2,2-dimethylcyclopentanecarbonyl)amino]propanoic acid is sourced from PubChem (CID 112734984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).