cis-(1R,2S)-2-[(1-ethylcyclopropyl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid

C14H23NO3 — CID 114099275

IUPACcis-(1R,2S)-2-[(1-ethylcyclopropyl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
SMILESCCC1(CNC(=O)[C@H]2CC(C)C[C@H]2C(=O)O)CC1
InChIInChI=1S/C14H23NO3/c1-3-14(4-5-14)8-15-12(16)10-6-9(2)7-11(10)13(17)18/h9-11H,3-8H2,1-2H3,(H,15,16)(H,17,18)/t9?,10-,11+/m0/s1
InChIKeyNFZPIEVXHBXLHU-QXXIUIOUSA-N
MW253.34 g/mol
LogP2.04
Rot. Bonds5

About cis-(1R,2S)-2-[(1-ethylcyclopropyl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid

cis-(1R,2S)-2-[(1-ethylcyclopropyl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid (PubChem CID 114099275) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is cis-(1R,2S)-2-[(1-ethylcyclopropyl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-[(1-ethylcyclopropyl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
PubChem CID114099275
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Namecis-(1R,2S)-2-[(1-ethylcyclopropyl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
SMILESCCC1(CNC(=O)[C@H]2CC(C)C[C@H]2C(=O)O)CC1
InChIInChI=1S/C14H23NO3/c1-3-14(4-5-14)8-15-12(16)10-6-9(2)7-11(10)13(17)18/h9-11H,3-8H2,1-2H3,(H,15,16)(H,17,18)/t9?,10-,11+/m0/s1
InChIKeyNFZPIEVXHBXLHU-QXXIUIOUSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-((Cyclopropylcarbamoyl)methyl)cyclopentane-1-carboxylic acid
CID 4962582
1-{[(Propan-2-yl)carbamoyl]methyl}cyclopentane-1-carboxylic acid
CID 2474304
2-(5,5,5-Trifluoropentylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103979068
2-(4,4,4-Trifluorobutylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103979069
cis-(1R,2S)-4-methyl-2-(2,2,2-trifluoroethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 105632686
cis-(1R,2S)-4-methyl-2-(3,3,3-trifluoropropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 105638192
cis-(1R,2S)-2-(2,2-difluoroethylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
CID 105640456
cis-(1R,2S)-2-(2,2-difluoroethylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid
CID 105640461
cis-(1S,2R)-2-(5,5,5-trifluoropentylcarbamoyl)cyclopentane-1-carboxylic acid
CID 105640470
cis-(1R,2S)-4-methyl-2-(5,5,5-trifluoropentylcarbamoyl)cyclopentane-1-carboxylic acid
CID 105640471
cis-(1R,2S)-4-ethyl-2-(5,5,5-trifluoropentylcarbamoyl)cyclopentane-1-carboxylic acid
CID 105640475
cis-(1R,2S)-4-methyl-2-(4,4,4-trifluorobutylcarbamoyl)cyclopentane-1-carboxylic acid
CID 105640477

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[(1-ethylcyclopropyl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-[(1-ethylcyclopropyl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid (CID 114099275) is cis-(1R,2S)-2-[(1-ethylcyclopropyl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-[(1-ethylcyclopropyl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-[(1-ethylcyclopropyl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid is CCC1(CNC(=O)[C@H]2CC(C)C[C@H]2C(=O)O)CC1.
What is the InChIKey of cis-(1R,2S)-2-[(1-ethylcyclopropyl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The InChIKey is NFZPIEVXHBXLHU-QXXIUIOUSA-N. The full InChI is InChI=1S/C14H23NO3/c1-3-14(4-5-14)8-15-12(16)10-6-9(2)7-11(10)13(17)18/h9-11H,3-8H2,1-2H3,(H,15,16)(H,17,18)/t9?,10-,11+/m0/s1.
What are the key properties of cis-(1R,2S)-2-[(1-ethylcyclopropyl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid?
cis-(1R,2S)-2-[(1-ethylcyclopropyl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid has a molecular weight of 253.34 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[(1-ethylcyclopropyl)methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 114099275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).