4-methyl-2-[[methyl(propan-2-yl)carbamoyl]amino]pentanoic acid

C11H22N2O3 — CID 61181963

IUPAC4-methyl-2-[[methyl(propan-2-yl)carbamoyl]amino]pentanoic acid
SMILESCC(C)CC(NC(=O)N(C)C(C)C)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-7(2)6-9(10(14)15)12-11(16)13(5)8(3)4/h7-9H,6H2,1-5H3,(H,12,16)(H,14,15)
InChIKeyXDWNMRADAPRZEE-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.54
Rot. Bonds5

About 4-methyl-2-[[methyl(propan-2-yl)carbamoyl]amino]pentanoic acid

4-methyl-2-[[methyl(propan-2-yl)carbamoyl]amino]pentanoic acid (PubChem CID 61181963) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-methyl-2-[[methyl(propan-2-yl)carbamoyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[[methyl(propan-2-yl)carbamoyl]amino]pentanoic acid
PubChem CID61181963
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name4-methyl-2-[[methyl(propan-2-yl)carbamoyl]amino]pentanoic acid
SMILESCC(C)CC(NC(=O)N(C)C(C)C)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-7(2)6-9(10(14)15)12-11(16)13(5)8(3)4/h7-9H,6H2,1-5H3,(H,12,16)(H,14,15)
InChIKeyXDWNMRADAPRZEE-UHFFFAOYSA-N
XLogP1.54
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-methyl-2-[[methyl(propan-2-yl)carbamoyl]amino]pentanoic 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

2-(dimethylcarbamoylamino)-4-methylpentanoic acid
CID 61194019
(2S)-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]-4-methylpentanoic acid
CID 104553217
(2R)-2-[[ethyl(propan-2-yl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976183
(2S)-4-methyl-2-[[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]pentanoic acid
CID 103955219
(2R)-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]pentanoic acid
CID 107566606
(2S)-2-[[cyclopropyl(methyl)carbamoyl]amino]-4-methylpentanoic acid
CID 61195446
(2R)-4-methyl-2-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]pentanoic acid
CID 78976302
(2S)-2-(acetyl(15N)amino)-4-methylpentanoic acid
CID 102053397
(2S)-2-[bis(2-amino-2-oxoethyl)carbamoylamino]-4-methylpentanoic acid
CID 78918601
(2R)-2-[[ethyl(2-methylpropyl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976291
4-amino-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]-4-oxobutanoic acid
CID 55000358
(2S)-4-amino-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]-4-oxobutanoic acid
CID 55231129

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[methyl(propan-2-yl)carbamoyl]amino]pentanoic acid?
The IUPAC name of 4-methyl-2-[[methyl(propan-2-yl)carbamoyl]amino]pentanoic acid (CID 61181963) is 4-methyl-2-[[methyl(propan-2-yl)carbamoyl]amino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[[methyl(propan-2-yl)carbamoyl]amino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[[methyl(propan-2-yl)carbamoyl]amino]pentanoic acid is CC(C)CC(NC(=O)N(C)C(C)C)C(=O)O.
What is the InChIKey of 4-methyl-2-[[methyl(propan-2-yl)carbamoyl]amino]pentanoic acid?
The InChIKey is XDWNMRADAPRZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-7(2)6-9(10(14)15)12-11(16)13(5)8(3)4/h7-9H,6H2,1-5H3,(H,12,16)(H,14,15).
What are the key properties of 4-methyl-2-[[methyl(propan-2-yl)carbamoyl]amino]pentanoic acid?
4-methyl-2-[[methyl(propan-2-yl)carbamoyl]amino]pentanoic acid has a molecular weight of 230.31 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[methyl(propan-2-yl)carbamoyl]amino]pentanoic acid is sourced from PubChem (CID 61181963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).