cis-(1S,2R)-2-[(1-carboxy-2-methylpropyl)carbamoyl]cyclopentane-1-carboxylic acid

C12H19NO5 — CID 114092157

IUPACcis-(1S,2R)-2-[(1-carboxy-2-methylpropyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCC(C)C(NC(=O)[C@@H]1CCC[C@@H]1C(=O)O)C(=O)O
InChIInChI=1S/C12H19NO5/c1-6(2)9(12(17)18)13-10(14)7-4-3-5-8(7)11(15)16/h6-9H,3-5H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)/t7-,8+,9?/m1/s1
InChIKeyWBPBXMMAPBBYPB-WGTSGOJVSA-N
MW257.29 g/mol
LogP0.71
Rot. Bonds5

About cis-(1S,2R)-2-[(1-carboxy-2-methylpropyl)carbamoyl]cyclopentane-1-carboxylic acid

cis-(1S,2R)-2-[(1-carboxy-2-methylpropyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 114092157) has the molecular formula C12H19NO5 and a molecular weight of 257.29 g/mol. Its IUPAC name is cis-(1S,2R)-2-[(1-carboxy-2-methylpropyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-[(1-carboxy-2-methylpropyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID114092157
Molecular FormulaC12H19NO5
Molecular Weight257.29 g/mol
Exact Mass257.13
IUPAC Namecis-(1S,2R)-2-[(1-carboxy-2-methylpropyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCC(C)C(NC(=O)[C@@H]1CCC[C@@H]1C(=O)O)C(=O)O
InChIInChI=1S/C12H19NO5/c1-6(2)9(12(17)18)13-10(14)7-4-3-5-8(7)11(15)16/h6-9H,3-5H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)/t7-,8+,9?/m1/s1
InChIKeyWBPBXMMAPBBYPB-WGTSGOJVSA-N
XLogP0.71
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2R)-2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 106344045
cis-(1R,2S)-2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 724026
2-[[(1R)-1-cyclopentylethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103979033
2-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid
CID 107214513
(1R)-2-[(2R)-2-(methoxycarbonylamino)-3-methylbutanoyl]cyclopentane-1-carboxylic acid
CID 139436584
(2R)-3-methyl-2-[(2-methylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 79385021
3-methyl-2-[(2-methylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 79388459
2-(cyclohexanecarbonylamino)-3-methylbutanoic acid
CID 2958090
(2S)-2-(cyclohexanecarbonylamino)-3-methylbutanoic acid
CID 972243
(2R)-2-[(2-cyclopropylcyclopropanecarbonyl)amino]-3-methylbutanoic acid
CID 119369099
2-[(2-cyclohexylcyclopropanecarbonyl)amino]-3-methylbutanoic acid
CID 119170208
2-(3-methylpentan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103978580

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[(1-carboxy-2-methylpropyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-[(1-carboxy-2-methylpropyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 114092157) is cis-(1S,2R)-2-[(1-carboxy-2-methylpropyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-[(1-carboxy-2-methylpropyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-[(1-carboxy-2-methylpropyl)carbamoyl]cyclopentane-1-carboxylic acid is CC(C)C(NC(=O)[C@@H]1CCC[C@@H]1C(=O)O)C(=O)O.
What is the InChIKey of cis-(1S,2R)-2-[(1-carboxy-2-methylpropyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is WBPBXMMAPBBYPB-WGTSGOJVSA-N. The full InChI is InChI=1S/C12H19NO5/c1-6(2)9(12(17)18)13-10(14)7-4-3-5-8(7)11(15)16/h6-9H,3-5H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)/t7-,8+,9?/m1/s1.
What are the key properties of cis-(1S,2R)-2-[(1-carboxy-2-methylpropyl)carbamoyl]cyclopentane-1-carboxylic acid?
cis-(1S,2R)-2-[(1-carboxy-2-methylpropyl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[(1-carboxy-2-methylpropyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114092157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).