3-[(4-amino-3-methylbutanoyl)amino]-2-hydroxypropanoic acid

C8H16N2O4 — CID 81080321

IUPAC3-[(4-amino-3-methylbutanoyl)amino]-2-hydroxypropanoic acid
SMILESCC(CN)CC(=O)NCC(O)C(=O)O
InChIInChI=1S/C8H16N2O4/c1-5(3-9)2-7(12)10-4-6(11)8(13)14/h5-6,11H,2-4,9H2,1H3,(H,10,12)(H,13,14)
InChIKeyMIBDTOADUKPELX-UHFFFAOYSA-N
MW204.23 g/mol
LogP-1.47
Rot. Bonds6

About 3-[(4-amino-3-methylbutanoyl)amino]-2-hydroxypropanoic acid

3-[(4-amino-3-methylbutanoyl)amino]-2-hydroxypropanoic acid (PubChem CID 81080321) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-[(4-amino-3-methylbutanoyl)amino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-[(4-amino-3-methylbutanoyl)amino]-2-hydroxypropanoic acid
PubChem CID81080321
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Name3-[(4-amino-3-methylbutanoyl)amino]-2-hydroxypropanoic acid
SMILESCC(CN)CC(=O)NCC(O)C(=O)O
InChIInChI=1S/C8H16N2O4/c1-5(3-9)2-7(12)10-4-6(11)8(13)14/h5-6,11H,2-4,9H2,1H3,(H,10,12)(H,13,14)
InChIKeyMIBDTOADUKPELX-UHFFFAOYSA-N
XLogP-1.47
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-1.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 3-[(4-amino-3-methylbutanoyl)amino]-2-hydroxypropanoic 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

4-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-3-methylbutanamide
CID 106175744
4-amino-N-[(2S)-2-hydroxypropyl]-3-methylbutanamide
CID 107221231
(2S)-3-[(3-amino-4-methylpentanoyl)amino]-2-hydroxypropanoic acid
CID 107835936
2-hydroxy-3-(3,4,4-trimethylpentanoylamino)propanoic acid
CID 66166062
4-amino-N-(2,2-diethoxyethyl)-3-methylbutanamide
CID 81079644
N-(3-amino-2-methylpropyl)-3-methylhexanamide;hydrochloride
CID 119998014
N-(3-amino-2-methylpropyl)-3,5-dimethylhexanamide;hydrochloride
CID 119995769
(2S)-3-[(3-amino-5,5-dimethylhexanoyl)amino]-2-hydroxypropanoic acid
CID 107835905
4-amino-3-methyl-N-prop-2-ynylbutanamide
CID 81070639
4-[(4-amino-3-methylbutanoyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 81079399
4-amino-N-[2-(dimethylamino)-2-phenylethyl]-3-methylbutanamide
CID 81087504
2-amino-N-(3-amino-2-methylpropyl)acetamide
CID 130703152

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-3-methylbutanoyl)amino]-2-hydroxypropanoic acid?
The IUPAC name of 3-[(4-amino-3-methylbutanoyl)amino]-2-hydroxypropanoic acid (CID 81080321) is 3-[(4-amino-3-methylbutanoyl)amino]-2-hydroxypropanoic acid.
What is the SMILES notation for 3-[(4-amino-3-methylbutanoyl)amino]-2-hydroxypropanoic acid?
The canonical SMILES for 3-[(4-amino-3-methylbutanoyl)amino]-2-hydroxypropanoic acid is CC(CN)CC(=O)NCC(O)C(=O)O.
What is the InChIKey of 3-[(4-amino-3-methylbutanoyl)amino]-2-hydroxypropanoic acid?
The InChIKey is MIBDTOADUKPELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4/c1-5(3-9)2-7(12)10-4-6(11)8(13)14/h5-6,11H,2-4,9H2,1H3,(H,10,12)(H,13,14).
What are the key properties of 3-[(4-amino-3-methylbutanoyl)amino]-2-hydroxypropanoic acid?
3-[(4-amino-3-methylbutanoyl)amino]-2-hydroxypropanoic acid has a molecular weight of 204.23 g/mol, XLogP of -1.47, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-3-methylbutanoyl)amino]-2-hydroxypropanoic acid is sourced from PubChem (CID 81080321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).