[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamic acid

C8H16N2O3 — CID 174999957

IUPAC[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamic acid
SMILESCNC(=O)[C@H](CC(C)C)NC(=O)O
InChIInChI=1S/C8H16N2O3/c1-5(2)4-6(7(11)9-3)10-8(12)13/h5-6,10H,4H2,1-3H3,(H,9,11)(H,12,13)/t6-/m0/s1
InChIKeyXDJYVWXONSIDAX-LURJTMIESA-N
MW188.23 g/mol
LogP0.41
Rot. Bonds4

About [(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamic acid

[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamic acid (PubChem CID 174999957) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is [(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamic acid
PubChem CID174999957
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamic acid
SMILESCNC(=O)[C@H](CC(C)C)NC(=O)O
InChIInChI=1S/C8H16N2O3/c1-5(2)4-6(7(11)9-3)10-8(12)13/h5-6,10H,4H2,1-3H3,(H,9,11)(H,12,13)/t6-/m0/s1
InChIKeyXDJYVWXONSIDAX-LURJTMIESA-N
XLogP0.41
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamic 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

N,4-dimethyl-2-(methylamino)pentanamide
CID 72516454
2-[(2-chloroacetyl)amino]-N,4-dimethylpentanamide
CID 43695584
(2S,3R)-2-hydroxy-5-methyl-3-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]hexanoic acid
CID 10805367
N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclopropanecarboxamide
CID 60776170
2-[(4-amino-2-methylbutanoyl)amino]-N,4-dimethylpentanamide
CID 80542489
2-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]benzoic acid
CID 60940712
(2R)-4-methyl-2-(methylcarbamoylamino)pentanoic acid
CID 30070504
2-(methanesulfonamido)-N,4-dimethylpentanamide
CID 13443889
(2R,5S)-5-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]oxolane-2-carboxylic acid
CID 102944794
2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoyl]amino]-N,4-dimethylpentanamide
CID 22955432
N,4-dimethyl-2-[[2-(prop-2-ynylamino)acetyl]amino]pentanamide
CID 79287630
2,2,2-trifluoroethyl N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamate
CID 60859368

Frequently Asked Questions

What is the IUPAC name of [(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamic acid?
The IUPAC name of [(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamic acid (CID 174999957) is [(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamic acid.
What is the SMILES notation for [(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamic acid?
The canonical SMILES for [(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamic acid is CNC(=O)[C@H](CC(C)C)NC(=O)O.
What is the InChIKey of [(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamic acid?
The InChIKey is XDJYVWXONSIDAX-LURJTMIESA-N. The full InChI is InChI=1S/C8H16N2O3/c1-5(2)4-6(7(11)9-3)10-8(12)13/h5-6,10H,4H2,1-3H3,(H,9,11)(H,12,13)/t6-/m0/s1.
What are the key properties of [(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamic acid?
[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamic acid has a molecular weight of 188.23 g/mol, XLogP of 0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamic acid is sourced from PubChem (CID 174999957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).