(3R)-3-amino-4-(1-cyclohexylpropan-2-ylamino)-4-oxobutanoic acid

C13H24N2O3 — CID 70693559

IUPAC(3R)-3-amino-4-(1-cyclohexylpropan-2-ylamino)-4-oxobutanoic acid
SMILESCC(CC1CCCCC1)NC(=O)[C@H](N)CC(=O)O
InChIInChI=1S/C13H24N2O3/c1-9(7-10-5-3-2-4-6-10)15-13(18)11(14)8-12(16)17/h9-11H,2-8,14H2,1H3,(H,15,18)(H,16,17)/t9?,11-/m1/s1
InChIKeyILQGNBNREBZBJC-HCCKASOXSA-N
MW256.35 g/mol
LogP1.26
Rot. Bonds6

About (3R)-3-amino-4-(1-cyclohexylpropan-2-ylamino)-4-oxobutanoic acid

(3R)-3-amino-4-(1-cyclohexylpropan-2-ylamino)-4-oxobutanoic acid (PubChem CID 70693559) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is (3R)-3-amino-4-(1-cyclohexylpropan-2-ylamino)-4-oxobutanoic acid.

Molecular Properties

Compound Name(3R)-3-amino-4-(1-cyclohexylpropan-2-ylamino)-4-oxobutanoic acid
PubChem CID70693559
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name(3R)-3-amino-4-(1-cyclohexylpropan-2-ylamino)-4-oxobutanoic acid
SMILESCC(CC1CCCCC1)NC(=O)[C@H](N)CC(=O)O
InChIInChI=1S/C13H24N2O3/c1-9(7-10-5-3-2-4-6-10)15-13(18)11(14)8-12(16)17/h9-11H,2-8,14H2,1H3,(H,15,18)(H,16,17)/t9?,11-/m1/s1
InChIKeyILQGNBNREBZBJC-HCCKASOXSA-N
XLogP1.26
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-(1-cyclohexylpropan-2-ylamino)-4-oxobutanoic acid?
The IUPAC name of (3R)-3-amino-4-(1-cyclohexylpropan-2-ylamino)-4-oxobutanoic acid (CID 70693559) is (3R)-3-amino-4-(1-cyclohexylpropan-2-ylamino)-4-oxobutanoic acid.
What is the SMILES notation for (3R)-3-amino-4-(1-cyclohexylpropan-2-ylamino)-4-oxobutanoic acid?
The canonical SMILES for (3R)-3-amino-4-(1-cyclohexylpropan-2-ylamino)-4-oxobutanoic acid is CC(CC1CCCCC1)NC(=O)[C@H](N)CC(=O)O.
What is the InChIKey of (3R)-3-amino-4-(1-cyclohexylpropan-2-ylamino)-4-oxobutanoic acid?
The InChIKey is ILQGNBNREBZBJC-HCCKASOXSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9(7-10-5-3-2-4-6-10)15-13(18)11(14)8-12(16)17/h9-11H,2-8,14H2,1H3,(H,15,18)(H,16,17)/t9?,11-/m1/s1.
What are the key properties of (3R)-3-amino-4-(1-cyclohexylpropan-2-ylamino)-4-oxobutanoic acid?
(3R)-3-amino-4-(1-cyclohexylpropan-2-ylamino)-4-oxobutanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.26, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-(1-cyclohexylpropan-2-ylamino)-4-oxobutanoic acid is sourced from PubChem (CID 70693559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).