cis-(1S,2R)-2-(1-cyclopropylbutan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid

C14H23NO3 — CID 114092378

IUPACcis-(1S,2R)-2-(1-cyclopropylbutan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESCCC(CC1CC1)NC(=O)[C@@H]1CCC[C@@H]1C(=O)O
InChIInChI=1S/C14H23NO3/c1-2-10(8-9-6-7-9)15-13(16)11-4-3-5-12(11)14(17)18/h9-12H,2-8H2,1H3,(H,15,16)(H,17,18)/t10?,11-,12+/m1/s1
InChIKeyYWCWKHLKHQGZRO-SAIIYOCFSA-N
MW253.34 g/mol
LogP2.18
Rot. Bonds6

About cis-(1S,2R)-2-(1-cyclopropylbutan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid

cis-(1S,2R)-2-(1-cyclopropylbutan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid (PubChem CID 114092378) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is cis-(1S,2R)-2-(1-cyclopropylbutan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-(1-cyclopropylbutan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
PubChem CID114092378
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Namecis-(1S,2R)-2-(1-cyclopropylbutan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESCCC(CC1CC1)NC(=O)[C@@H]1CCC[C@@H]1C(=O)O
InChIInChI=1S/C14H23NO3/c1-2-10(8-9-6-7-9)15-13(16)11-4-3-5-12(11)14(17)18/h9-12H,2-8H2,1H3,(H,15,16)(H,17,18)/t10?,11-,12+/m1/s1
InChIKeyYWCWKHLKHQGZRO-SAIIYOCFSA-N
XLogP2.18
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(2S)-1-hydroxybutan-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 107214907
2-(1-cyclopropylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 64817341
2-(3-methylpentan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103978580
2-(3-ethylpentan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63841768
2-[[(1R)-1-cyclopentylethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103979033
2-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid
CID 107214513
cis-(1R,2S)-2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 724026
2-[1-(diethylamino)propan-2-ylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978652
cis-(1S,2R)-2-[(1-carboxy-2-methylpropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114092157
2-(1-hydroxybutan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 60942127
2-[1-(4-methylphenyl)propylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978215
2-[1-(dimethylamino)propan-2-ylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103979109

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(1-cyclopropylbutan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-(1-cyclopropylbutan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid (CID 114092378) is cis-(1S,2R)-2-(1-cyclopropylbutan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-(1-cyclopropylbutan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-(1-cyclopropylbutan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid is CCC(CC1CC1)NC(=O)[C@@H]1CCC[C@@H]1C(=O)O.
What is the InChIKey of cis-(1S,2R)-2-(1-cyclopropylbutan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid?
The InChIKey is YWCWKHLKHQGZRO-SAIIYOCFSA-N. The full InChI is InChI=1S/C14H23NO3/c1-2-10(8-9-6-7-9)15-13(16)11-4-3-5-12(11)14(17)18/h9-12H,2-8H2,1H3,(H,15,16)(H,17,18)/t10?,11-,12+/m1/s1.
What are the key properties of cis-(1S,2R)-2-(1-cyclopropylbutan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid?
cis-(1S,2R)-2-(1-cyclopropylbutan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid has a molecular weight of 253.34 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(1-cyclopropylbutan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114092378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).