(2R)-2-[[cyclohexyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid

C15H28N2O3 — CID 78976340

IUPAC(2R)-2-[[cyclohexyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid
SMILESCCN(C(=O)N[C@H](CC(C)C)C(=O)O)C1CCCCC1
InChIInChI=1S/C15H28N2O3/c1-4-17(12-8-6-5-7-9-12)15(20)16-13(14(18)19)10-11(2)3/h11-13H,4-10H2,1-3H3,(H,16,20)(H,18,19)/t13-/m1/s1
InChIKeyCSXSDULBPLQCLD-CYBMUJFWSA-N
MW284.40 g/mol
LogP2.85
Rot. Bonds6

About (2R)-2-[[cyclohexyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid

(2R)-2-[[cyclohexyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid (PubChem CID 78976340) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is (2R)-2-[[cyclohexyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[cyclohexyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid
PubChem CID78976340
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name(2R)-2-[[cyclohexyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid
SMILESCCN(C(=O)N[C@H](CC(C)C)C(=O)O)C1CCCCC1
InChIInChI=1S/C15H28N2O3/c1-4-17(12-8-6-5-7-9-12)15(20)16-13(14(18)19)10-11(2)3/h11-13H,4-10H2,1-3H3,(H,16,20)(H,18,19)/t13-/m1/s1
InChIKeyCSXSDULBPLQCLD-CYBMUJFWSA-N
XLogP2.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976157
2-[[cyclohexyl(ethyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 61190467
2-[[cyclopentyl(ethyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 61227565
(2R)-4-amino-2-[[cyclopentyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107826230
(2R)-2-[[cyclohexyl(ethyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 104909830
(2R)-2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976332
2-[[cyclopropyl(ethyl)carbamoyl]amino]pentanoic acid
CID 61196558
(2S)-2-[[cyclopropyl(methyl)carbamoyl]amino]-4-methylpentanoic acid
CID 61195446
2-[[cyclohexyl(ethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 61190976
2-(cyclooctanecarbonylamino)-4-methylpentanoic acid
CID 65018915
(2S)-2-(cycloheptanecarbonylamino)-4-methylpentanoic acid
CID 22872515
4-amino-2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 61194306

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[cyclohexyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[[cyclohexyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid (CID 78976340) is (2R)-2-[[cyclohexyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[[cyclohexyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[[cyclohexyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid is CCN(C(=O)N[C@H](CC(C)C)C(=O)O)C1CCCCC1.
What is the InChIKey of (2R)-2-[[cyclohexyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid?
The InChIKey is CSXSDULBPLQCLD-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-17(12-8-6-5-7-9-12)15(20)16-13(14(18)19)10-11(2)3/h11-13H,4-10H2,1-3H3,(H,16,20)(H,18,19)/t13-/m1/s1.
What are the key properties of (2R)-2-[[cyclohexyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid?
(2R)-2-[[cyclohexyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid has a molecular weight of 284.40 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[cyclohexyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 78976340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).