2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]butanoic acid

C10H20N2O3 — CID 103929498

IUPAC2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]butanoic acid
SMILESCCC(NC(=O)[C@H](N)C(C)(C)C)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-5-6(9(14)15)12-8(13)7(11)10(2,3)4/h6-7H,5,11H2,1-4H3,(H,12,13)(H,14,15)/t6?,7-/m0/s1
InChIKeyXPCZESWYHPGFEH-MLWJPKLSSA-N
MW216.28 g/mol
LogP0.34
Rot. Bonds4

About 2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]butanoic acid

2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]butanoic acid (PubChem CID 103929498) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]butanoic acid
PubChem CID103929498
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]butanoic acid
SMILESCCC(NC(=O)[C@H](N)C(C)(C)C)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-5-6(9(14)15)12-8(13)7(11)10(2,3)4/h6-7H,5,11H2,1-4H3,(H,12,13)(H,14,15)/t6?,7-/m0/s1
InChIKeyXPCZESWYHPGFEH-MLWJPKLSSA-N
XLogP0.34
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]butanoic 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

(2R)-2-[(2-amino-3,3-dimethylbutanoyl)amino]-3-hydroxypropanoic acid
CID 103930250
2-[(2-amino-3,3-dimethylbutanoyl)amino]hexanoic acid
CID 76894181
2-[(2-amino-3,3-dimethylbutanoyl)amino]-3-[[2-[(2-amino-3,3-dimethylbutanoyl)amino]-2-carboxyethyl]disulfanyl]propanoic acid
CID 23424270
2-(2,3,3-trimethylbutanoylamino)butanoic acid
CID 120687072
2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-4-methoxybutanoic acid
CID 62478300
2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 103930427
(2S)-2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-3-phenylpropanoic acid
CID 61174366
2-amino-3,3-dimethyl-N-(2-methylpentan-3-yl)butanamide
CID 76904802
3-amino-4-(1-carboxypropylamino)-4-oxobutanoic acid
CID 64895943
(2S)-2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 103929543
(2S)-2-amino-N-[(2S)-1-[[(2S)-1-amino-1-oxobutan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-3,3-dimethylbutanamide
CID 166893083
(2S)-2-[(2,2-difluoroacetyl)amino]butanoic acid
CID 103513419

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]butanoic acid?
The IUPAC name of 2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]butanoic acid (CID 103929498) is 2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]butanoic acid.
What is the SMILES notation for 2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]butanoic acid?
The canonical SMILES for 2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]butanoic acid is CCC(NC(=O)[C@H](N)C(C)(C)C)C(=O)O.
What is the InChIKey of 2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]butanoic acid?
The InChIKey is XPCZESWYHPGFEH-MLWJPKLSSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-5-6(9(14)15)12-8(13)7(11)10(2,3)4/h6-7H,5,11H2,1-4H3,(H,12,13)(H,14,15)/t6?,7-/m0/s1.
What are the key properties of 2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]butanoic acid?
2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]butanoic acid has a molecular weight of 216.28 g/mol, XLogP of 0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]butanoic acid is sourced from PubChem (CID 103929498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).