cis-(1R,3S)-3-[(2-ethyl-6-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid

C16H22N2O3 — CID 106323996

IUPACcis-(1R,3S)-3-[(2-ethyl-6-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCCc1cccc(C)c1NC(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C16H22N2O3/c1-3-11-6-4-5-10(2)14(11)18-16(21)17-13-8-7-12(9-13)15(19)20/h4-6,12-13H,3,7-9H2,1-2H3,(H,19,20)(H2,17,18,21)/t12-,13+/m1/s1
InChIKeyWLJWMURLCFVPRP-OLZOCXBDSA-N
MW290.36 g/mol
LogP2.93
Rot. Bonds4

About cis-(1R,3S)-3-[(2-ethyl-6-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[(2-ethyl-6-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 106323996) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(2-ethyl-6-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(2-ethyl-6-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID106323996
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Namecis-(1R,3S)-3-[(2-ethyl-6-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCCc1cccc(C)c1NC(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C16H22N2O3/c1-3-11-6-4-5-10(2)14(11)18-16(21)17-13-8-7-12(9-13)15(19)20/h4-6,12-13H,3,7-9H2,1-2H3,(H,19,20)(H2,17,18,21)/t12-,13+/m1/s1
InChIKeyWLJWMURLCFVPRP-OLZOCXBDSA-N
XLogP2.93
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-chloro-6-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66252752
1-cyclohexyl-3-(2-ethyl-6-methylphenyl)urea
CID 3326830
3-[(4-bromo-2-ethylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 81289601
1-N-cyclopentyl-4-N-(2-ethyl-6-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145846
3-[[2-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 66031233
cis-(1R,3S)-3-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321479
1-(cyclopropylmethyl)-3-(2-ethyl-6-methylphenyl)urea
CID 47031896
3-amino-N-(2-ethyl-6-methylphenyl)cyclopentane-1-carboxamide
CID 66032656
2-(cyclopropylcarbamoylamino)-3-methylbenzoic acid
CID 61187186
2-(2-ethyl-6-methylanilino)cyclopropane-1-carboxylic acid
CID 117027632
3-[(2-hydroxy-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032729
cis-(1R,3S)-3-[(2,6-dimethyl-3-pyridinyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106319865

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(2-ethyl-6-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(2-ethyl-6-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid (CID 106323996) is cis-(1R,3S)-3-[(2-ethyl-6-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(2-ethyl-6-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(2-ethyl-6-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid is CCc1cccc(C)c1NC(=O)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-[(2-ethyl-6-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is WLJWMURLCFVPRP-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-11-6-4-5-10(2)14(11)18-16(21)17-13-8-7-12(9-13)15(19)20/h4-6,12-13H,3,7-9H2,1-2H3,(H,19,20)(H2,17,18,21)/t12-,13+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(2-ethyl-6-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(2-ethyl-6-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 2.93, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(2-ethyl-6-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106323996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).