(2R)-2-[(1-phenylmethoxycarbonylcyclopentyl)methyl]pentanoic acid

C19H26O4 — CID 59892210

IUPAC(2R)-2-[(1-phenylmethoxycarbonylcyclopentyl)methyl]pentanoic acid
SMILESCCC[C@H](CC1(C(=O)OCc2ccccc2)CCCC1)C(=O)O
InChIInChI=1S/C19H26O4/c1-2-8-16(17(20)21)13-19(11-6-7-12-19)18(22)23-14-15-9-4-3-5-10-15/h3-5,9-10,16H,2,6-8,11-14H2,1H3,(H,20,21)/t16-/m1/s1
InChIKeyHUPUMZBGUITREG-MRXNPFEDSA-N
MW318.41 g/mol
LogP4.18
Rot. Bonds8

About (2R)-2-[(1-phenylmethoxycarbonylcyclopentyl)methyl]pentanoic acid

(2R)-2-[(1-phenylmethoxycarbonylcyclopentyl)methyl]pentanoic acid (PubChem CID 59892210) has the molecular formula C19H26O4 and a molecular weight of 318.41 g/mol. Its IUPAC name is (2R)-2-[(1-phenylmethoxycarbonylcyclopentyl)methyl]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(1-phenylmethoxycarbonylcyclopentyl)methyl]pentanoic acid
PubChem CID59892210
Molecular FormulaC19H26O4
Molecular Weight318.41 g/mol
Exact Mass318.18
IUPAC Name(2R)-2-[(1-phenylmethoxycarbonylcyclopentyl)methyl]pentanoic acid
SMILESCCC[C@H](CC1(C(=O)OCc2ccccc2)CCCC1)C(=O)O
InChIInChI=1S/C19H26O4/c1-2-8-16(17(20)21)13-19(11-6-7-12-19)18(22)23-14-15-9-4-3-5-10-15/h3-5,9-10,16H,2,6-8,11-14H2,1H3,(H,20,21)/t16-/m1/s1
InChIKeyHUPUMZBGUITREG-MRXNPFEDSA-N
XLogP4.18
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid
CID 11682031
benzyl 1-[2-(dimethylamino)-2-oxoethyl]cyclohexane-1-carboxylate
CID 146950043
ethyl 2-[(1-carbamoylcyclopentyl)methyl]-4-phenylbutanoate
CID 141033298
benzyl 3-ethylpyrrolidine-3-carboxylate
CID 63145292
benzyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylate
CID 58560493
4-ethoxy-2-[[1-[(4-phenylmethoxycarbonylcyclohexyl)carbamoyl]cyclopentyl]methyl]butanoic acid
CID 19775811
(2R)-2-[[1-[[(2R)-1-carboxy-3-[(4-fluorophenyl)methoxy]propan-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid
CID 58633481
(2R)-2-[[1-[[(2R)-1-[(4-chlorophenyl)methoxy]-4-ethoxy-4-oxobutan-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid
CID 58633527
(2S)-2-[[1-[[(2S)-1-ethoxy-4-methylsulfanyl-1-oxobutan-2-yl]carbamoyl]cyclopentyl]methyl]-4-phenylbutanoic acid
CID 67799266
benzyl 1-(3-methoxypropyl)cyclopropane-1-carboxylate
CID 163454781
benzyl 1-(trifluoromethylsulfonyloxymethyl)cyclopentane-1-carboxylate
CID 126617485
1-phenylmethoxycarbonylcyclohexane-1-carboxylic acid
CID 69040282

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1-phenylmethoxycarbonylcyclopentyl)methyl]pentanoic acid?
The IUPAC name of (2R)-2-[(1-phenylmethoxycarbonylcyclopentyl)methyl]pentanoic acid (CID 59892210) is (2R)-2-[(1-phenylmethoxycarbonylcyclopentyl)methyl]pentanoic acid.
What is the SMILES notation for (2R)-2-[(1-phenylmethoxycarbonylcyclopentyl)methyl]pentanoic acid?
The canonical SMILES for (2R)-2-[(1-phenylmethoxycarbonylcyclopentyl)methyl]pentanoic acid is CCC[C@H](CC1(C(=O)OCc2ccccc2)CCCC1)C(=O)O.
What is the InChIKey of (2R)-2-[(1-phenylmethoxycarbonylcyclopentyl)methyl]pentanoic acid?
The InChIKey is HUPUMZBGUITREG-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H26O4/c1-2-8-16(17(20)21)13-19(11-6-7-12-19)18(22)23-14-15-9-4-3-5-10-15/h3-5,9-10,16H,2,6-8,11-14H2,1H3,(H,20,21)/t16-/m1/s1.
What are the key properties of (2R)-2-[(1-phenylmethoxycarbonylcyclopentyl)methyl]pentanoic acid?
(2R)-2-[(1-phenylmethoxycarbonylcyclopentyl)methyl]pentanoic acid has a molecular weight of 318.41 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1-phenylmethoxycarbonylcyclopentyl)methyl]pentanoic acid is sourced from PubChem (CID 59892210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).