(2R)-2-(1-cyclohexylpropylcarbamoylamino)-4-methylpentanoic acid

C16H30N2O3 — CID 78989662

IUPAC(2R)-2-(1-cyclohexylpropylcarbamoylamino)-4-methylpentanoic acid
SMILESCCC(NC(=O)N[C@H](CC(C)C)C(=O)O)C1CCCCC1
InChIInChI=1S/C16H30N2O3/c1-4-13(12-8-6-5-7-9-12)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)/t13?,14-/m1/s1
InChIKeyDTLVABOKANEKGO-ARLHGKGLSA-N
MW298.43 g/mol
LogP3.14
Rot. Bonds7

About (2R)-2-(1-cyclohexylpropylcarbamoylamino)-4-methylpentanoic acid

(2R)-2-(1-cyclohexylpropylcarbamoylamino)-4-methylpentanoic acid (PubChem CID 78989662) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is (2R)-2-(1-cyclohexylpropylcarbamoylamino)-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-(1-cyclohexylpropylcarbamoylamino)-4-methylpentanoic acid
PubChem CID78989662
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name(2R)-2-(1-cyclohexylpropylcarbamoylamino)-4-methylpentanoic acid
SMILESCCC(NC(=O)N[C@H](CC(C)C)C(=O)O)C1CCCCC1
InChIInChI=1S/C16H30N2O3/c1-4-13(12-8-6-5-7-9-12)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)/t13?,14-/m1/s1
InChIKeyDTLVABOKANEKGO-ARLHGKGLSA-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

2-(1-cyclohexylpropylcarbamoylamino)hexanoic acid
CID 62406894
2-(1-cyclohexylpropylcarbamoylamino)-3-methylbutanoic acid
CID 62406363
2-(1-cyclopropylbutan-2-ylcarbamoylamino)-4-methylpentanoic acid
CID 63994181
1-(1-cyclopropylpropyl)-3-propan-2-ylurea
CID 68521863
(2R)-2-(cyclobutylcarbamoylamino)-4-methylpentanoic acid
CID 62413842
2-(cyclobutylcarbamoylamino)-4-methylpentanoic acid
CID 62414420
2-(cyclooctanecarbonylamino)-4-methylpentanoic acid
CID 65018915
(2S)-2-(cycloheptanecarbonylamino)-4-methylpentanoic acid
CID 22872515
(2R)-2-(2-cyclohexylethylcarbamoylamino)-4-methylpentanoic acid
CID 78976455
N-(1-cyclohexylpropyl)acetamide
CID 45119320
2-(1-cyclohexylpropylcarbamoylamino)-2-methylpropanoic acid
CID 62405641
2-[(2-ethylcyclohexyl)carbamoylamino]-4-methylpentanoic acid
CID 61468105

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-cyclohexylpropylcarbamoylamino)-4-methylpentanoic acid?
The IUPAC name of (2R)-2-(1-cyclohexylpropylcarbamoylamino)-4-methylpentanoic acid (CID 78989662) is (2R)-2-(1-cyclohexylpropylcarbamoylamino)-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-(1-cyclohexylpropylcarbamoylamino)-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-(1-cyclohexylpropylcarbamoylamino)-4-methylpentanoic acid is CCC(NC(=O)N[C@H](CC(C)C)C(=O)O)C1CCCCC1.
What is the InChIKey of (2R)-2-(1-cyclohexylpropylcarbamoylamino)-4-methylpentanoic acid?
The InChIKey is DTLVABOKANEKGO-ARLHGKGLSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-4-13(12-8-6-5-7-9-12)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)/t13?,14-/m1/s1.
What are the key properties of (2R)-2-(1-cyclohexylpropylcarbamoylamino)-4-methylpentanoic acid?
(2R)-2-(1-cyclohexylpropylcarbamoylamino)-4-methylpentanoic 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)-2-(1-cyclohexylpropylcarbamoylamino)-4-methylpentanoic acid is sourced from PubChem (CID 78989662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).