cis-(1R,3S)-3-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid

C13H16N2O3 — CID 106321479

IUPACcis-(1R,3S)-3-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESO=C(Nc1ccccc1)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C13H16N2O3/c16-12(17)9-6-7-11(8-9)15-13(18)14-10-4-2-1-3-5-10/h1-5,9,11H,6-8H2,(H,16,17)(H2,14,15,18)/t9-,11+/m1/s1
InChIKeyXXHLQDAMJDZOHI-KOLCDFICSA-N
MW248.28 g/mol
LogP2.06
Rot. Bonds3

About cis-(1R,3S)-3-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid (PubChem CID 106321479) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is cis-(1R,3S)-3-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid
PubChem CID106321479
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Namecis-(1R,3S)-3-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESO=C(Nc1ccccc1)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C13H16N2O3/c16-12(17)9-6-7-11(8-9)15-13(18)14-10-4-2-1-3-5-10/h1-5,9,11H,6-8H2,(H,16,17)(H2,14,15,18)/t9-,11+/m1/s1
InChIKeyXXHLQDAMJDZOHI-KOLCDFICSA-N
XLogP2.06
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-acetylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66032344
cis-(1R,3S)-3-[(3-carbamoylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106320365
cis-(1R,3S)-3-[(2-bromophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 114173616
1-[(1R,3R)-3-methylcyclohexyl]-3-phenylurea
CID 41098100
cis-(1R,3S)-3-[(3,4-difluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106324149
3-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66030616
3-[[3-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 66031036
cis-(1R,3S)-3-[(3,5-dichloro-4-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106320322
4-[(3-phenoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122084514
cis-(1R,3S)-3-[(4-bromo-3-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106319809
3-[(3-bromo-4-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 104780167
4-(cyclopropylcarbamoylamino)-N-phenylbenzamide
CID 39885806

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid (CID 106321479) is cis-(1R,3S)-3-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid is O=C(Nc1ccccc1)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is XXHLQDAMJDZOHI-KOLCDFICSA-N. The full InChI is InChI=1S/C13H16N2O3/c16-12(17)9-6-7-11(8-9)15-13(18)14-10-4-2-1-3-5-10/h1-5,9,11H,6-8H2,(H,16,17)(H2,14,15,18)/t9-,11+/m1/s1.
What are the key properties of cis-(1R,3S)-3-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 248.28 g/mol, XLogP of 2.06, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106321479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).