(2R)-2-[(4-amino-3-methoxybutanoyl)amino]-3,3-dimethylbutanoic acid

C11H22N2O4 — CID 103156564

IUPAC(2R)-2-[(4-amino-3-methoxybutanoyl)amino]-3,3-dimethylbutanoic acid
SMILESCOC(CN)CC(=O)N[C@@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C11H22N2O4/c1-11(2,3)9(10(15)16)13-8(14)5-7(6-12)17-4/h7,9H,5-6,12H2,1-4H3,(H,13,14)(H,15,16)/t7?,9-/m0/s1
InChIKeyWGRSTPRLQYWPNP-NETXQHHPSA-N
MW246.31 g/mol
LogP-0.03
Rot. Bonds6

About (2R)-2-[(4-amino-3-methoxybutanoyl)amino]-3,3-dimethylbutanoic acid

(2R)-2-[(4-amino-3-methoxybutanoyl)amino]-3,3-dimethylbutanoic acid (PubChem CID 103156564) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is (2R)-2-[(4-amino-3-methoxybutanoyl)amino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4-amino-3-methoxybutanoyl)amino]-3,3-dimethylbutanoic acid
PubChem CID103156564
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name(2R)-2-[(4-amino-3-methoxybutanoyl)amino]-3,3-dimethylbutanoic acid
SMILESCOC(CN)CC(=O)N[C@@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C11H22N2O4/c1-11(2,3)9(10(15)16)13-8(14)5-7(6-12)17-4/h7,9H,5-6,12H2,1-4H3,(H,13,14)(H,15,16)/t7?,9-/m0/s1
InChIKeyWGRSTPRLQYWPNP-NETXQHHPSA-N
XLogP-0.03
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[(4-amino-3-methoxybutanoyl)amino]-3,3-dimethylbutanoic 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-(3-methoxybutanoylamino)-3,3-dimethylbutanoic acid
CID 115909811
2-[(4-amino-3-methylbutanoyl)amino]-3,3-dimethylbutanoic acid
CID 81086648
(2R)-2-[(3-amino-4,4-dimethylpentanoyl)amino]-3,3-dimethylbutanoic acid
CID 113353116
4-amino-3-methoxy-N-(3-methylbutan-2-yl)butanamide
CID 103154290
(2S)-2-[(4-amino-3-methoxybutanoyl)amino]-3-hydroxypropanoic acid
CID 103155444
2-[(4-amino-3-methoxybutanoyl)amino]-3-hydroxypropanoic acid
CID 103155386
(2R)-2-[(2-methoxyacetyl)amino]-3,3-dimethylbutanoic acid
CID 103926507
4-amino-3-methoxy-N-(2,2,6-trimethylheptan-3-yl)butanamide;hydrochloride
CID 120592370
4-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methoxybutanamide
CID 103156180
2-[(4-amino-3-methoxybutanoyl)amino]-2-cyclopropylacetic acid
CID 103155791
(2S)-2-[(3-methoxy-3-methylbutanoyl)amino]-3,3-dimethylbutanoic acid
CID 103018443
3-[(4-amino-3-methoxybutanoyl)amino]-3-methylbutanamide
CID 106096401

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-amino-3-methoxybutanoyl)amino]-3,3-dimethylbutanoic acid?
The IUPAC name of (2R)-2-[(4-amino-3-methoxybutanoyl)amino]-3,3-dimethylbutanoic acid (CID 103156564) is (2R)-2-[(4-amino-3-methoxybutanoyl)amino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2R)-2-[(4-amino-3-methoxybutanoyl)amino]-3,3-dimethylbutanoic acid?
The canonical SMILES for (2R)-2-[(4-amino-3-methoxybutanoyl)amino]-3,3-dimethylbutanoic acid is COC(CN)CC(=O)N[C@@H](C(=O)O)C(C)(C)C.
What is the InChIKey of (2R)-2-[(4-amino-3-methoxybutanoyl)amino]-3,3-dimethylbutanoic acid?
The InChIKey is WGRSTPRLQYWPNP-NETXQHHPSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-11(2,3)9(10(15)16)13-8(14)5-7(6-12)17-4/h7,9H,5-6,12H2,1-4H3,(H,13,14)(H,15,16)/t7?,9-/m0/s1.
What are the key properties of (2R)-2-[(4-amino-3-methoxybutanoyl)amino]-3,3-dimethylbutanoic acid?
(2R)-2-[(4-amino-3-methoxybutanoyl)amino]-3,3-dimethylbutanoic acid has a molecular weight of 246.31 g/mol, XLogP of -0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-amino-3-methoxybutanoyl)amino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 103156564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).