cis-(1R,2S)-4-ethyl-2-(4-hydroxypentylcarbamoyl)cyclopentane-1-carboxylic acid

C14H25NO4 — CID 106120354

IUPACcis-(1R,2S)-4-ethyl-2-(4-hydroxypentylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESCCC1C[C@H](C(=O)NCCCC(C)O)[C@H](C(=O)O)C1
InChIInChI=1S/C14H25NO4/c1-3-10-7-11(12(8-10)14(18)19)13(17)15-6-4-5-9(2)16/h9-12,16H,3-8H2,1-2H3,(H,15,17)(H,18,19)/t9?,10?,11-,12+/m0/s1
InChIKeyCDBGSBDHWNEJPO-MMVSWEMESA-N
MW271.36 g/mol
LogP1.40
Rot. Bonds7

About cis-(1R,2S)-4-ethyl-2-(4-hydroxypentylcarbamoyl)cyclopentane-1-carboxylic acid

cis-(1R,2S)-4-ethyl-2-(4-hydroxypentylcarbamoyl)cyclopentane-1-carboxylic acid (PubChem CID 106120354) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is cis-(1R,2S)-4-ethyl-2-(4-hydroxypentylcarbamoyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-4-ethyl-2-(4-hydroxypentylcarbamoyl)cyclopentane-1-carboxylic acid
PubChem CID106120354
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Namecis-(1R,2S)-4-ethyl-2-(4-hydroxypentylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESCCC1C[C@H](C(=O)NCCCC(C)O)[C@H](C(=O)O)C1
InChIInChI=1S/C14H25NO4/c1-3-10-7-11(12(8-10)14(18)19)13(17)15-6-4-5-9(2)16/h9-12,16H,3-8H2,1-2H3,(H,15,17)(H,18,19)/t9?,10?,11-,12+/m0/s1
InChIKeyCDBGSBDHWNEJPO-MMVSWEMESA-N
XLogP1.40
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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)-4-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 105638505
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-(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
cis-(1R,2S)-4-ethyl-2-(4,4,4-trifluorobutylcarbamoyl)cyclopentane-1-carboxylic acid
CID 105640481
4-Ethyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 105645238
cis-(1R,2S)-4-ethyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 105645260
2-[(3,3-Difluoro-2-hydroxypropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 105645282

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-4-ethyl-2-(4-hydroxypentylcarbamoyl)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-4-ethyl-2-(4-hydroxypentylcarbamoyl)cyclopentane-1-carboxylic acid (CID 106120354) is cis-(1R,2S)-4-ethyl-2-(4-hydroxypentylcarbamoyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-4-ethyl-2-(4-hydroxypentylcarbamoyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-4-ethyl-2-(4-hydroxypentylcarbamoyl)cyclopentane-1-carboxylic acid is CCC1C[C@H](C(=O)NCCCC(C)O)[C@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,2S)-4-ethyl-2-(4-hydroxypentylcarbamoyl)cyclopentane-1-carboxylic acid?
The InChIKey is CDBGSBDHWNEJPO-MMVSWEMESA-N. The full InChI is InChI=1S/C14H25NO4/c1-3-10-7-11(12(8-10)14(18)19)13(17)15-6-4-5-9(2)16/h9-12,16H,3-8H2,1-2H3,(H,15,17)(H,18,19)/t9?,10?,11-,12+/m0/s1.
What are the key properties of cis-(1R,2S)-4-ethyl-2-(4-hydroxypentylcarbamoyl)cyclopentane-1-carboxylic acid?
cis-(1R,2S)-4-ethyl-2-(4-hydroxypentylcarbamoyl)cyclopentane-1-carboxylic acid has a molecular weight of 271.36 g/mol, XLogP of 1.40, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-4-ethyl-2-(4-hydroxypentylcarbamoyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106120354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).