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

C16H22N2O3 — CID 106324097

IUPACcis-(1R,3S)-3-[[ethyl-(2-methylphenyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCCN(C(=O)N[C@H]1CC[C@@H](C(=O)O)C1)c1ccccc1C
InChIInChI=1S/C16H22N2O3/c1-3-18(14-7-5-4-6-11(14)2)16(21)17-13-9-8-12(10-13)15(19)20/h4-7,12-13H,3,8-10H2,1-2H3,(H,17,21)(H,19,20)/t12-,13+/m1/s1
InChIKeyROBNRDSCGUYKPX-OLZOCXBDSA-N
MW290.36 g/mol
LogP2.78
Rot. Bonds4

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

cis-(1R,3S)-3-[[ethyl-(2-methylphenyl)carbamoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 106324097) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[ethyl-(2-methylphenyl)carbamoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[ethyl-(2-methylphenyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID106324097
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Namecis-(1R,3S)-3-[[ethyl-(2-methylphenyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCCN(C(=O)N[C@H]1CC[C@@H](C(=O)O)C1)c1ccccc1C
InChIInChI=1S/C16H22N2O3/c1-3-18(14-7-5-4-6-11(14)2)16(21)17-13-9-8-12(10-13)15(19)20/h4-7,12-13H,3,8-10H2,1-2H3,(H,17,21)(H,19,20)/t12-,13+/m1/s1
InChIKeyROBNRDSCGUYKPX-OLZOCXBDSA-N
XLogP2.78
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[ethyl-(2-fluorophenyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66030847
3-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66030256
2-[ethyl-(2-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103977682
3-[(2-hydroxy-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032729
3-[ethyl-(2-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550638
cis-(1R,3S)-3-[(2-ethyl-6-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106323996
trans-(1S,3S)-3-[(3-methylthiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 97318295
3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66031638
3-[3-(2-methylphenyl)prop-2-enoylamino]cyclopentane-1-carboxylic acid
CID 77109183
3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66032028
3-cyclohexyl-1-ethyl-1-phenylurea
CID 17371090
cis-(1R,3S)-3-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319510

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[ethyl-(2-methylphenyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[[ethyl-(2-methylphenyl)carbamoyl]amino]cyclopentane-1-carboxylic acid (CID 106324097) is cis-(1R,3S)-3-[[ethyl-(2-methylphenyl)carbamoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[[ethyl-(2-methylphenyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[[ethyl-(2-methylphenyl)carbamoyl]amino]cyclopentane-1-carboxylic acid is CCN(C(=O)N[C@H]1CC[C@@H](C(=O)O)C1)c1ccccc1C.
What is the InChIKey of cis-(1R,3S)-3-[[ethyl-(2-methylphenyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is ROBNRDSCGUYKPX-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-18(14-7-5-4-6-11(14)2)16(21)17-13-9-8-12(10-13)15(19)20/h4-7,12-13H,3,8-10H2,1-2H3,(H,17,21)(H,19,20)/t12-,13+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[[ethyl-(2-methylphenyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[[ethyl-(2-methylphenyl)carbamoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[[ethyl-(2-methylphenyl)carbamoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106324097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).