cis-(1R,3S)-3-[(4-methoxyphenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid

C15H20N2O4 — CID 106324061

IUPACcis-(1R,3S)-3-[(4-methoxyphenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
SMILESCOc1ccc(CNC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)cc1
InChIInChI=1S/C15H20N2O4/c1-21-13-6-2-10(3-7-13)9-16-15(20)17-12-5-4-11(8-12)14(18)19/h2-3,6-7,11-12H,4-5,8-9H2,1H3,(H,18,19)(H2,16,17,20)/t11-,12+/m1/s1
InChIKeyMXJXBEQZQRNAGV-NEPJUHHUSA-N
MW292.33 g/mol
LogP1.75
Rot. Bonds5

About cis-(1R,3S)-3-[(4-methoxyphenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[(4-methoxyphenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 106324061) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(4-methoxyphenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(4-methoxyphenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID106324061
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Namecis-(1R,3S)-3-[(4-methoxyphenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
SMILESCOc1ccc(CNC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)cc1
InChIInChI=1S/C15H20N2O4/c1-21-13-6-2-10(3-7-13)9-16-15(20)17-12-5-4-11(8-12)14(18)19/h2-3,6-7,11-12H,4-5,8-9H2,1H3,(H,18,19)(H2,16,17,20)/t11-,12+/m1/s1
InChIKeyMXJXBEQZQRNAGV-NEPJUHHUSA-N
XLogP1.75
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-methoxyphenyl)methyl]-3-(3-methylcyclohexyl)urea
CID 47172067
3-[(4-bromophenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 66033001
1-cyclohexyl-3-[(4-methoxyphenyl)methyl]urea
CID 854988
4-[(4-fluorophenyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 61190166
cis-(1R,3S)-3-(furan-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106320151
3-[(5-ethylthiophen-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 106005432
N-[(4-methoxyphenyl)methyl]-2-[(4-phenylcyclohexyl)carbamoylamino]acetamide
CID 48515720
cis-(1R,3S)-3-[2-(4-methoxyphenyl)butanoylamino]cyclopentane-1-carboxylic acid
CID 120690555
cis-(1R,3S)-3-(pyridin-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106324252
2-[4-[(4-methoxyphenyl)methylcarbamoylamino]piperidin-1-yl]-N-methylacetamide
CID 34700282
3-[(4-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 63043293
cis-(1R,3S)-3-[[4-(acetamidomethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120677359

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(4-methoxyphenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(4-methoxyphenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid (CID 106324061) is cis-(1R,3S)-3-[(4-methoxyphenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(4-methoxyphenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(4-methoxyphenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid is COc1ccc(CNC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)cc1.
What is the InChIKey of cis-(1R,3S)-3-[(4-methoxyphenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is MXJXBEQZQRNAGV-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-21-13-6-2-10(3-7-13)9-16-15(20)17-12-5-4-11(8-12)14(18)19/h2-3,6-7,11-12H,4-5,8-9H2,1H3,(H,18,19)(H2,16,17,20)/t11-,12+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(4-methoxyphenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(4-methoxyphenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 1.75, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(4-methoxyphenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106324061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).