cis-(1S,2R)-2-[(3-ethyl-2-hydroxypentyl)carbamoyl]cyclohexane-1-carboxylic acid

C15H27NO4 — CID 106284398

IUPACcis-(1S,2R)-2-[(3-ethyl-2-hydroxypentyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCCC(CC)C(O)CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C15H27NO4/c1-3-10(4-2)13(17)9-16-14(18)11-7-5-6-8-12(11)15(19)20/h10-13,17H,3-9H2,1-2H3,(H,16,18)(H,19,20)/t11-,12+,13?/m1/s1
InChIKeyFOPFHLRXRWGNSA-OJRHAOMCSA-N
MW285.38 g/mol
LogP1.79
Rot. Bonds7

About cis-(1S,2R)-2-[(3-ethyl-2-hydroxypentyl)carbamoyl]cyclohexane-1-carboxylic acid

cis-(1S,2R)-2-[(3-ethyl-2-hydroxypentyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 106284398) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is cis-(1S,2R)-2-[(3-ethyl-2-hydroxypentyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-[(3-ethyl-2-hydroxypentyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID106284398
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Namecis-(1S,2R)-2-[(3-ethyl-2-hydroxypentyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCCC(CC)C(O)CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C15H27NO4/c1-3-10(4-2)13(17)9-16-14(18)11-7-5-6-8-12(11)15(19)20/h10-13,17H,3-9H2,1-2H3,(H,16,18)(H,19,20)/t11-,12+,13?/m1/s1
InChIKeyFOPFHLRXRWGNSA-OJRHAOMCSA-N
XLogP1.79
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylpropylcarbamoyl)cyclohexane-1-carboxylic acid
CID 3133162
2-[[(2R)-2-hydroxypropyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 107214739
2-(3-ethylpentan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63841768
cis-(1S,2R)-2-[[(2S)-2-phenylbutyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 96564436
2-(2,2-difluoroethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103979066
cis-(1S,2R)-2-[[2-(ethylamino)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 114091717
2-[2-(2-methylpropanoylamino)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 60934525
N-(3-ethyl-2-hydroxypentyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103761209
cis-(1S,2R)-2-(2-acetamidoethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 42302869
2-(decylcarbamoyl)cyclohexane-1-carboxylic acid
CID 5139462
2-[[(2S)-1-hydroxybutan-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 107214907
2-(2-ethylhexylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974196

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[(3-ethyl-2-hydroxypentyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-[(3-ethyl-2-hydroxypentyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 106284398) is cis-(1S,2R)-2-[(3-ethyl-2-hydroxypentyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-[(3-ethyl-2-hydroxypentyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-[(3-ethyl-2-hydroxypentyl)carbamoyl]cyclohexane-1-carboxylic acid is CCC(CC)C(O)CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)O.
What is the InChIKey of cis-(1S,2R)-2-[(3-ethyl-2-hydroxypentyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is FOPFHLRXRWGNSA-OJRHAOMCSA-N. The full InChI is InChI=1S/C15H27NO4/c1-3-10(4-2)13(17)9-16-14(18)11-7-5-6-8-12(11)15(19)20/h10-13,17H,3-9H2,1-2H3,(H,16,18)(H,19,20)/t11-,12+,13?/m1/s1.
What are the key properties of cis-(1S,2R)-2-[(3-ethyl-2-hydroxypentyl)carbamoyl]cyclohexane-1-carboxylic acid?
cis-(1S,2R)-2-[(3-ethyl-2-hydroxypentyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 285.38 g/mol, XLogP of 1.79, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[(3-ethyl-2-hydroxypentyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 106284398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).