cis-(1R,3S)-3-[[cyclohexylmethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid

C15H26N2O3 — CID 106319422

IUPACcis-(1R,3S)-3-[[cyclohexylmethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCN(CC1CCCCC1)C(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C15H26N2O3/c1-17(10-11-5-3-2-4-6-11)15(20)16-13-8-7-12(9-13)14(18)19/h11-13H,2-10H2,1H3,(H,16,20)(H,18,19)/t12-,13+/m1/s1
InChIKeyYITJMIQCVBQKFH-OLZOCXBDSA-N
MW282.38 g/mol
LogP2.46
Rot. Bonds4

About cis-(1R,3S)-3-[[cyclohexylmethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[[cyclohexylmethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 106319422) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[cyclohexylmethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[cyclohexylmethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID106319422
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Namecis-(1R,3S)-3-[[cyclohexylmethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCN(CC1CCCCC1)C(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C15H26N2O3/c1-17(10-11-5-3-2-4-6-11)15(20)16-13-8-7-12(9-13)14(18)19/h11-13H,2-10H2,1H3,(H,16,20)(H,18,19)/t12-,13+/m1/s1
InChIKeyYITJMIQCVBQKFH-OLZOCXBDSA-N
XLogP2.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclohexylmethyl)-1-methyl-3-(3-methylcyclohexyl)urea
CID 112837928
3-cyclopentyl-1-(cyclopentylmethyl)-1-methylurea
CID 115597933
cis-(1R,3S)-3-[[2-methoxyethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319406
cis-(1R,3S)-3-[[2-cyanopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319528
4-[[cyclohexylmethyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122025047
4-[cyclopentylmethyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63783865
3-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66030447
cis-(1R,3S)-3-[[cyclopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319286
3-[(2-cyclopentylacetyl)amino]cyclopentane-1-carboxylic acid
CID 66031106
4-[[cyclobutylmethyl(ethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 107400206
1-N,4-N-bis(cyclohexylmethyl)-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
CID 112814425
1-(cyclopentylmethyl)-3-[(1S,2R)-2-ethylcyclohexyl]-1-methylurea
CID 99786912

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[cyclohexylmethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[[cyclohexylmethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid (CID 106319422) is cis-(1R,3S)-3-[[cyclohexylmethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[[cyclohexylmethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[[cyclohexylmethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid is CN(CC1CCCCC1)C(=O)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-[[cyclohexylmethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is YITJMIQCVBQKFH-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-17(10-11-5-3-2-4-6-11)15(20)16-13-8-7-12(9-13)14(18)19/h11-13H,2-10H2,1H3,(H,16,20)(H,18,19)/t12-,13+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[[cyclohexylmethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[[cyclohexylmethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 2.46, 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-[[cyclohexylmethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106319422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).