(2R)-2-[[ethyl(propan-2-yl)carbamoyl]amino]-4-methylpentanoic acid

C12H24N2O3 — CID 78976183

IUPAC(2R)-2-[[ethyl(propan-2-yl)carbamoyl]amino]-4-methylpentanoic acid
SMILESCCN(C(=O)N[C@H](CC(C)C)C(=O)O)C(C)C
InChIInChI=1S/C12H24N2O3/c1-6-14(9(4)5)12(17)13-10(11(15)16)7-8(2)3/h8-10H,6-7H2,1-5H3,(H,13,17)(H,15,16)/t10-/m1/s1
InChIKeyXZYAJIHUVLYZQE-SNVBAGLBSA-N
MW244.33 g/mol
LogP1.93
Rot. Bonds6

About (2R)-2-[[ethyl(propan-2-yl)carbamoyl]amino]-4-methylpentanoic acid

(2R)-2-[[ethyl(propan-2-yl)carbamoyl]amino]-4-methylpentanoic acid (PubChem CID 78976183) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is (2R)-2-[[ethyl(propan-2-yl)carbamoyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[ethyl(propan-2-yl)carbamoyl]amino]-4-methylpentanoic acid
PubChem CID78976183
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name(2R)-2-[[ethyl(propan-2-yl)carbamoyl]amino]-4-methylpentanoic acid
SMILESCCN(C(=O)N[C@H](CC(C)C)C(=O)O)C(C)C
InChIInChI=1S/C12H24N2O3/c1-6-14(9(4)5)12(17)13-10(11(15)16)7-8(2)3/h8-10H,6-7H2,1-5H3,(H,13,17)(H,15,16)/t10-/m1/s1
InChIKeyXZYAJIHUVLYZQE-SNVBAGLBSA-N
XLogP1.93
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-2-[[ethyl(propan-2-yl)carbamoyl]amino]-4-methylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[[ethyl(2-methylpropyl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976291
4-methyl-2-[[methyl(propan-2-yl)carbamoyl]amino]pentanoic acid
CID 61181963
(2S)-4-amino-2-[[ethyl(propan-2-yl)carbamoyl]amino]-4-oxobutanoic acid
CID 63716409
(2R)-2-[[2-cyanoethyl(propan-2-yl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976410
2-(dimethylcarbamoylamino)-4-methylpentanoic acid
CID 61194019
(2S)-2-[[ethyl(propan-2-yl)carbamoyl]amino]propanoic acid
CID 61196762
(2R)-2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976157
(2R)-2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976504
(2S)-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]-4-methylpentanoic acid
CID 104553217
2-[[butyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 61185864
2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-4-methylpentanoic acid
CID 61437733
(2S)-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 54947939

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[ethyl(propan-2-yl)carbamoyl]amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[[ethyl(propan-2-yl)carbamoyl]amino]-4-methylpentanoic acid (CID 78976183) is (2R)-2-[[ethyl(propan-2-yl)carbamoyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[[ethyl(propan-2-yl)carbamoyl]amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[[ethyl(propan-2-yl)carbamoyl]amino]-4-methylpentanoic acid is CCN(C(=O)N[C@H](CC(C)C)C(=O)O)C(C)C.
What is the InChIKey of (2R)-2-[[ethyl(propan-2-yl)carbamoyl]amino]-4-methylpentanoic acid?
The InChIKey is XZYAJIHUVLYZQE-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-6-14(9(4)5)12(17)13-10(11(15)16)7-8(2)3/h8-10H,6-7H2,1-5H3,(H,13,17)(H,15,16)/t10-/m1/s1.
What are the key properties of (2R)-2-[[ethyl(propan-2-yl)carbamoyl]amino]-4-methylpentanoic acid?
(2R)-2-[[ethyl(propan-2-yl)carbamoyl]amino]-4-methylpentanoic acid has a molecular weight of 244.33 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[ethyl(propan-2-yl)carbamoyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 78976183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).