(2R)-2-(2-cyclohexylethylcarbamoylamino)-4-methylpentanoic acid

C15H28N2O3 — CID 78976455

IUPAC(2R)-2-(2-cyclohexylethylcarbamoylamino)-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)NCCC1CCCCC1)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-11(2)10-13(14(18)19)17-15(20)16-9-8-12-6-4-3-5-7-12/h11-13H,3-10H2,1-2H3,(H,18,19)(H2,16,17,20)/t13-/m1/s1
InChIKeyNGNUJHKEXDZCQQ-CYBMUJFWSA-N
MW284.40 g/mol
LogP2.76
Rot. Bonds7

About (2R)-2-(2-cyclohexylethylcarbamoylamino)-4-methylpentanoic acid

(2R)-2-(2-cyclohexylethylcarbamoylamino)-4-methylpentanoic acid (PubChem CID 78976455) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is (2R)-2-(2-cyclohexylethylcarbamoylamino)-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-(2-cyclohexylethylcarbamoylamino)-4-methylpentanoic acid
PubChem CID78976455
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name(2R)-2-(2-cyclohexylethylcarbamoylamino)-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)NCCC1CCCCC1)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-11(2)10-13(14(18)19)17-15(20)16-9-8-12-6-4-3-5-7-12/h11-13H,3-10H2,1-2H3,(H,18,19)(H2,16,17,20)/t13-/m1/s1
InChIKeyNGNUJHKEXDZCQQ-CYBMUJFWSA-N
XLogP2.76
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-cyclopentylethylcarbamoylamino)-4-methylpentanoic acid
CID 61205392
(2R)-4-methyl-2-[2-(3-methylcyclohexyl)ethylcarbamoylamino]pentanoic acid
CID 78965782
(2R)-2-(2-cyclopentylethylcarbamoylamino)-3-hydroxypropanoic acid
CID 80757095
(2S)-2-(2-cyclohexylethylamino)-4-methylpentanoic acid
CID 122037122
2-(2-cyclopentylethylcarbamoylamino)pentanoic acid
CID 61205747
2-(2-cyclohexylethylcarbamoylamino)hexanoic acid
CID 61206108
(2R)-2-(2-cyclohexylethylcarbamoylamino)-4-methylsulfanylbutanoic acid
CID 104909955
(2S)-2-(3-cyclohexylpropanoylamino)-4-methylpentanoic acid
CID 10539933
4-amino-2-(2-cyclopentylethylcarbamoylamino)-4-oxobutanoic acid
CID 61205396
(2S)-2-(2-cyclopentylethylcarbamoylamino)-4-methylsulfanylbutanoic acid
CID 61205924
(2S)-2-(cyclopropylmethylcarbamoylamino)-4-methylpentanoic acid
CID 61183008
(2S,3S)-2-(2-cyclohexylethylcarbamoylamino)-3-methylpentanoic acid
CID 61206115

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-cyclohexylethylcarbamoylamino)-4-methylpentanoic acid?
The IUPAC name of (2R)-2-(2-cyclohexylethylcarbamoylamino)-4-methylpentanoic acid (CID 78976455) is (2R)-2-(2-cyclohexylethylcarbamoylamino)-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-(2-cyclohexylethylcarbamoylamino)-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-(2-cyclohexylethylcarbamoylamino)-4-methylpentanoic acid is CC(C)C[C@@H](NC(=O)NCCC1CCCCC1)C(=O)O.
What is the InChIKey of (2R)-2-(2-cyclohexylethylcarbamoylamino)-4-methylpentanoic acid?
The InChIKey is NGNUJHKEXDZCQQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-11(2)10-13(14(18)19)17-15(20)16-9-8-12-6-4-3-5-7-12/h11-13H,3-10H2,1-2H3,(H,18,19)(H2,16,17,20)/t13-/m1/s1.
What are the key properties of (2R)-2-(2-cyclohexylethylcarbamoylamino)-4-methylpentanoic acid?
(2R)-2-(2-cyclohexylethylcarbamoylamino)-4-methylpentanoic acid has a molecular weight of 284.40 g/mol, XLogP of 2.76, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-cyclohexylethylcarbamoylamino)-4-methylpentanoic acid is sourced from PubChem (CID 78976455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).