(2S)-4-amino-2-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-4-oxobutanoic acid

C11H21N3O5 — CID 63719398

IUPAC(2S)-4-amino-2-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-4-oxobutanoic acid
SMILESCC(C)N(CCCO)C(=O)N[C@@H](CC(N)=O)C(=O)O
InChIInChI=1S/C11H21N3O5/c1-7(2)14(4-3-5-15)11(19)13-8(10(17)18)6-9(12)16/h7-8,15H,3-6H2,1-2H3,(H2,12,16)(H,13,19)(H,17,18)/t8-/m0/s1
InChIKeyYSIBDVKHULUEJG-QMMMGPOBSA-N
MW275.31 g/mol
LogP-0.88
Rot. Bonds8

About (2S)-4-amino-2-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-4-oxobutanoic acid

(2S)-4-amino-2-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-4-oxobutanoic acid (PubChem CID 63719398) has the molecular formula C11H21N3O5 and a molecular weight of 275.31 g/mol. Its IUPAC name is (2S)-4-amino-2-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2S)-4-amino-2-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-4-oxobutanoic acid
PubChem CID63719398
Molecular FormulaC11H21N3O5
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name(2S)-4-amino-2-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-4-oxobutanoic acid
SMILESCC(C)N(CCCO)C(=O)N[C@@H](CC(N)=O)C(=O)O
InChIInChI=1S/C11H21N3O5/c1-7(2)14(4-3-5-15)11(19)13-8(10(17)18)6-9(12)16/h7-8,15H,3-6H2,1-2H3,(H2,12,16)(H,13,19)(H,17,18)/t8-/m0/s1
InChIKeyYSIBDVKHULUEJG-QMMMGPOBSA-N
XLogP-0.88
TPSA132.96 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 5-0.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S)-4-amino-2-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-4-oxobutanoic 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

(2S)-4-amino-2-[[ethyl(propan-2-yl)carbamoyl]amino]-4-oxobutanoic acid
CID 63716409
(2S)-4-amino-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]-4-oxobutanoic acid
CID 82951704
(2S)-4-amino-4-oxo-2-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
CID 63719033
(2R)-3-hydroxy-2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]propanoic acid
CID 80756986
(2R)-5-amino-5-oxo-2-[[pentyl(propan-2-yl)carbamoyl]amino]pentanoic acid
CID 107830741
4-amino-2-[[2-hydroxyethyl(propyl)carbamoyl]amino]-4-oxobutanoic acid
CID 61426093
(2S)-2-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-3-methylpentanoic acid
CID 54998790
(2R)-4-amino-2-[[methyl-[3-(methylamino)propyl]carbamoyl]amino]-4-oxobutanoic acid
CID 107828446
(2R)-4-amino-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-4-oxobutanoic acid
CID 114005644
(2R)-4-amino-2-[[methyl(2-methylpropyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107826094
4-amino-2-[[butyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 61186230
(2R)-4-amino-2-[[butyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107825753

Frequently Asked Questions

What is the IUPAC name of (2S)-4-amino-2-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-4-oxobutanoic acid?
The IUPAC name of (2S)-4-amino-2-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-4-oxobutanoic acid (CID 63719398) is (2S)-4-amino-2-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for (2S)-4-amino-2-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-4-oxobutanoic acid?
The canonical SMILES for (2S)-4-amino-2-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-4-oxobutanoic acid is CC(C)N(CCCO)C(=O)N[C@@H](CC(N)=O)C(=O)O.
What is the InChIKey of (2S)-4-amino-2-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-4-oxobutanoic acid?
The InChIKey is YSIBDVKHULUEJG-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H21N3O5/c1-7(2)14(4-3-5-15)11(19)13-8(10(17)18)6-9(12)16/h7-8,15H,3-6H2,1-2H3,(H2,12,16)(H,13,19)(H,17,18)/t8-/m0/s1.
What are the key properties of (2S)-4-amino-2-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-4-oxobutanoic acid?
(2S)-4-amino-2-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-4-oxobutanoic acid has a molecular weight of 275.31 g/mol, XLogP of -0.88, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-amino-2-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 63719398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).