(2R)-4-methyl-2-[(4-propylcyclohexyl)carbamoylamino]pentanoic acid

C16H30N2O3 — CID 78976074

IUPAC(2R)-4-methyl-2-[(4-propylcyclohexyl)carbamoylamino]pentanoic acid
SMILESCCCC1CCC(NC(=O)N[C@H](CC(C)C)C(=O)O)CC1
InChIInChI=1S/C16H30N2O3/c1-4-5-12-6-8-13(9-7-12)17-16(21)18-14(15(19)20)10-11(2)3/h11-14H,4-10H2,1-3H3,(H,19,20)(H2,17,18,21)/t12?,13?,14-/m1/s1
InChIKeyXWEVQUXKCPELIE-JXQTWKCFSA-N
MW298.43 g/mol
LogP3.14
Rot. Bonds7

About (2R)-4-methyl-2-[(4-propylcyclohexyl)carbamoylamino]pentanoic acid

(2R)-4-methyl-2-[(4-propylcyclohexyl)carbamoylamino]pentanoic acid (PubChem CID 78976074) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is (2R)-4-methyl-2-[(4-propylcyclohexyl)carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-[(4-propylcyclohexyl)carbamoylamino]pentanoic acid
PubChem CID78976074
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name(2R)-4-methyl-2-[(4-propylcyclohexyl)carbamoylamino]pentanoic acid
SMILESCCCC1CCC(NC(=O)N[C@H](CC(C)C)C(=O)O)CC1
InChIInChI=1S/C16H30N2O3/c1-4-5-12-6-8-13(9-7-12)17-16(21)18-14(15(19)20)10-11(2)3/h11-14H,4-10H2,1-3H3,(H,19,20)(H2,17,18,21)/t12?,13?,14-/m1/s1
InChIKeyXWEVQUXKCPELIE-JXQTWKCFSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(cyclobutylcarbamoylamino)-4-methylpentanoic acid
CID 62413842
2-(cyclobutylcarbamoylamino)-4-methylpentanoic acid
CID 62414420
4-methyl-2-(oxan-4-ylcarbamoylamino)pentanoic acid
CID 61202405
(2R)-2-[(3,4-dimethylcyclohexyl)carbamoylamino]-4-methylpentanoic acid
CID 64741574
(2R)-2-(cyclopropylcarbamoylamino)pentanoic acid
CID 107564781
(2S)-2-[(4-ethylcyclohexyl)carbamoylamino]pentanoic acid
CID 107566467
2-methyl-3-oxo-3-[(4-propylcyclohexyl)amino]propanoic acid
CID 114898278
(2S)-2-[(4-ethylcyclohexyl)carbamoylamino]-3-hydroxypropanoic acid
CID 54955301
(2R)-2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-4-methylpentanoic acid
CID 79401644
3-methyl-2-[[(4-propylcyclohexyl)carbamoylamino]methyl]butanoic acid
CID 65221396
(2S)-2-(cyclopropylmethylcarbamoylamino)-4-methylpentanoic acid
CID 61183008
2-[(2-ethylcyclohexyl)carbamoylamino]-4-methylpentanoic acid
CID 61468105

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[(4-propylcyclohexyl)carbamoylamino]pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-[(4-propylcyclohexyl)carbamoylamino]pentanoic acid (CID 78976074) is (2R)-4-methyl-2-[(4-propylcyclohexyl)carbamoylamino]pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-[(4-propylcyclohexyl)carbamoylamino]pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-[(4-propylcyclohexyl)carbamoylamino]pentanoic acid is CCCC1CCC(NC(=O)N[C@H](CC(C)C)C(=O)O)CC1.
What is the InChIKey of (2R)-4-methyl-2-[(4-propylcyclohexyl)carbamoylamino]pentanoic acid?
The InChIKey is XWEVQUXKCPELIE-JXQTWKCFSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-4-5-12-6-8-13(9-7-12)17-16(21)18-14(15(19)20)10-11(2)3/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-[(4-propylcyclohexyl)carbamoylamino]pentanoic acid?
(2R)-4-methyl-2-[(4-propylcyclohexyl)carbamoylamino]pentanoic acid has a molecular weight of 298.43 g/mol, XLogP of 3.14, 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-[(4-propylcyclohexyl)carbamoylamino]pentanoic acid is sourced from PubChem (CID 78976074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).