(2R)-4-methyl-2-[2-(3-methylcyclohexyl)ethylcarbamoylamino]pentanoic acid

C16H30N2O3 — CID 78965782

IUPAC(2R)-4-methyl-2-[2-(3-methylcyclohexyl)ethylcarbamoylamino]pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)NCCC1CCCC(C)C1)C(=O)O
InChIInChI=1S/C16H30N2O3/c1-11(2)9-14(15(19)20)18-16(21)17-8-7-13-6-4-5-12(3)10-13/h11-14H,4-10H2,1-3H3,(H,19,20)(H2,17,18,21)/t12?,13?,14-/m1/s1
InChIKeyBSNDITKOHYQFJJ-JXQTWKCFSA-N
MW298.43 g/mol
LogP3.00
Rot. Bonds7

About (2R)-4-methyl-2-[2-(3-methylcyclohexyl)ethylcarbamoylamino]pentanoic acid

(2R)-4-methyl-2-[2-(3-methylcyclohexyl)ethylcarbamoylamino]pentanoic acid (PubChem CID 78965782) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is (2R)-4-methyl-2-[2-(3-methylcyclohexyl)ethylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-[2-(3-methylcyclohexyl)ethylcarbamoylamino]pentanoic acid
PubChem CID78965782
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name(2R)-4-methyl-2-[2-(3-methylcyclohexyl)ethylcarbamoylamino]pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)NCCC1CCCC(C)C1)C(=O)O
InChIInChI=1S/C16H30N2O3/c1-11(2)9-14(15(19)20)18-16(21)17-8-7-13-6-4-5-12(3)10-13/h11-14H,4-10H2,1-3H3,(H,19,20)(H2,17,18,21)/t12?,13?,14-/m1/s1
InChIKeyBSNDITKOHYQFJJ-JXQTWKCFSA-N
XLogP3.00
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-cyclopentylethylcarbamoylamino)-4-methylpentanoic acid
CID 61205392
(2R)-2-(2-cyclohexylethylcarbamoylamino)-4-methylpentanoic acid
CID 78976455
(2S)-2-[2-(3-methylcyclohexyl)ethylcarbamoylamino]hexanoic acid
CID 107146159
(2R)-4-methyl-2-[(3-methylcyclopentyl)methylcarbamoylamino]pentanoic acid
CID 107414550
(2R)-2-amino-N-[2-(3-methylcyclohexyl)ethyl]propanamide
CID 78966012
1-(4-hydroxy-2-methylpentyl)-3-[2-(3-methylcyclohexyl)ethyl]urea
CID 111455561
(2R)-2-(cyclobutylcarbamoylamino)-4-methylpentanoic acid
CID 62413842
(2S)-2-(cyclopropylmethylcarbamoylamino)-4-methylpentanoic acid
CID 61183008
2-(cyclobutylcarbamoylamino)-4-methylpentanoic acid
CID 62414420
(2R)-2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-4-methylpentanoic acid
CID 79401644
1-methoxy-3-[2-[(1S,3S)-3-methylcyclohexyl]ethyl]urea
CID 95628739
(2R)-2-(2-cyclopentylethylcarbamoylamino)-3-hydroxypropanoic acid
CID 80757095

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[2-(3-methylcyclohexyl)ethylcarbamoylamino]pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-[2-(3-methylcyclohexyl)ethylcarbamoylamino]pentanoic acid (CID 78965782) is (2R)-4-methyl-2-[2-(3-methylcyclohexyl)ethylcarbamoylamino]pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-[2-(3-methylcyclohexyl)ethylcarbamoylamino]pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-[2-(3-methylcyclohexyl)ethylcarbamoylamino]pentanoic acid is CC(C)C[C@@H](NC(=O)NCCC1CCCC(C)C1)C(=O)O.
What is the InChIKey of (2R)-4-methyl-2-[2-(3-methylcyclohexyl)ethylcarbamoylamino]pentanoic acid?
The InChIKey is BSNDITKOHYQFJJ-JXQTWKCFSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-11(2)9-14(15(19)20)18-16(21)17-8-7-13-6-4-5-12(3)10-13/h11-14H,4-10H2,1-3H3,(H,19,20)(H2,17,18,21)/t12?,13?,14-/m1/s1.
What are the key properties of (2R)-4-methyl-2-[2-(3-methylcyclohexyl)ethylcarbamoylamino]pentanoic acid?
(2R)-4-methyl-2-[2-(3-methylcyclohexyl)ethylcarbamoylamino]pentanoic acid has a molecular weight of 298.43 g/mol, XLogP of 3.00, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[2-(3-methylcyclohexyl)ethylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 78965782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).