cis-(1R,2S)-4-ethyl-2-[(1-methylcyclopentyl)carbamoyl]cyclopentane-1-carboxylic acid

C15H25NO3 — CID 114092072

IUPACcis-(1R,2S)-4-ethyl-2-[(1-methylcyclopentyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCC1C[C@H](C(=O)NC2(C)CCCC2)[C@H](C(=O)O)C1
InChIInChI=1S/C15H25NO3/c1-3-10-8-11(12(9-10)14(18)19)13(17)16-15(2)6-4-5-7-15/h10-12H,3-9H2,1-2H3,(H,16,17)(H,18,19)/t10?,11-,12+/m0/s1
InChIKeyVYMHXTCQHDCIFF-GLXQMMQGSA-N
MW267.37 g/mol
LogP2.57
Rot. Bonds4

About cis-(1R,2S)-4-ethyl-2-[(1-methylcyclopentyl)carbamoyl]cyclopentane-1-carboxylic acid

cis-(1R,2S)-4-ethyl-2-[(1-methylcyclopentyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 114092072) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is cis-(1R,2S)-4-ethyl-2-[(1-methylcyclopentyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-4-ethyl-2-[(1-methylcyclopentyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID114092072
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Namecis-(1R,2S)-4-ethyl-2-[(1-methylcyclopentyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCC1C[C@H](C(=O)NC2(C)CCCC2)[C@H](C(=O)O)C1
InChIInChI=1S/C15H25NO3/c1-3-10-8-11(12(9-10)14(18)19)13(17)16-15(2)6-4-5-7-15/h10-12H,3-9H2,1-2H3,(H,16,17)(H,18,19)/t10?,11-,12+/m0/s1
InChIKeyVYMHXTCQHDCIFF-GLXQMMQGSA-N
XLogP2.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-2-methyl-N-(1-methylcyclobutyl)cyclopropane-1-carboxamide
CID 130646724
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
CID 107846690
4-ethyl-2-(2-methylpropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114511327
cis-(1R,3S)-2,2-dimethyl-3-[(1-methylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 114092184
2-[(1,4-dimethylcyclohexyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975804
cis-(1R,2S)-2-(cyclopentyloxycarbamoyl)-4-ethylcyclopentane-1-carboxylic acid
CID 114092767
4-ethyl-2-[(2-hydroxy-3-methylbutyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114512122
4-ethyl-2-(2-methylprop-2-enylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114615292
4-ethyl-2-[(2-methylcyclopentyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 107416699
cis-(1R,2S)-4-ethyl-2-(4-hydroxypentylcarbamoyl)cyclopentane-1-carboxylic acid
CID 106120354
cis-(1R,2S)-2-(3-cyclopentylpropylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid
CID 106003697
4-ethyl-2-[(1-hydroxy-4-methylpentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 106348503

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-4-ethyl-2-[(1-methylcyclopentyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-4-ethyl-2-[(1-methylcyclopentyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 114092072) is cis-(1R,2S)-4-ethyl-2-[(1-methylcyclopentyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-4-ethyl-2-[(1-methylcyclopentyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-4-ethyl-2-[(1-methylcyclopentyl)carbamoyl]cyclopentane-1-carboxylic acid is CCC1C[C@H](C(=O)NC2(C)CCCC2)[C@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,2S)-4-ethyl-2-[(1-methylcyclopentyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is VYMHXTCQHDCIFF-GLXQMMQGSA-N. The full InChI is InChI=1S/C15H25NO3/c1-3-10-8-11(12(9-10)14(18)19)13(17)16-15(2)6-4-5-7-15/h10-12H,3-9H2,1-2H3,(H,16,17)(H,18,19)/t10?,11-,12+/m0/s1.
What are the key properties of cis-(1R,2S)-4-ethyl-2-[(1-methylcyclopentyl)carbamoyl]cyclopentane-1-carboxylic acid?
cis-(1R,2S)-4-ethyl-2-[(1-methylcyclopentyl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 267.37 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-4-ethyl-2-[(1-methylcyclopentyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114092072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).