3-(2-aminobutanoylamino)-2,2-dimethylpropanoic acid

C9H18N2O3 — CID 115427879

IUPAC3-(2-aminobutanoylamino)-2,2-dimethylpropanoic acid
SMILESCCC(N)C(=O)NCC(C)(C)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-4-6(10)7(12)11-5-9(2,3)8(13)14/h6H,4-5,10H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyQVKKUJYMZXFTIH-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.05
Rot. Bonds5

About 3-(2-aminobutanoylamino)-2,2-dimethylpropanoic acid

3-(2-aminobutanoylamino)-2,2-dimethylpropanoic acid (PubChem CID 115427879) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 3-(2-aminobutanoylamino)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(2-aminobutanoylamino)-2,2-dimethylpropanoic acid
PubChem CID115427879
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name3-(2-aminobutanoylamino)-2,2-dimethylpropanoic acid
SMILESCCC(N)C(=O)NCC(C)(C)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-4-6(10)7(12)11-5-9(2,3)8(13)14/h6H,4-5,10H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyQVKKUJYMZXFTIH-UHFFFAOYSA-N
XLogP-0.05
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-amino-4-methylsulfonylbutanoyl)amino]-2,2-dimethylpropanoic acid
CID 113307979
3-(2-aminopropanoylamino)-2,2-dimethylpropanoic acid
CID 115427893
2-amino-N-(2,2-dimethylbutyl)butanamide
CID 103461499
(2R)-2-amino-N-(2-methyl-2-methylsulfanylpropyl)butanamide
CID 104864440
2-amino-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride
CID 122359947
3-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-2,2-dimethylpropanoic acid
CID 104905430
2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)butanamide
CID 106254850
(2S)-2-amino-N-tert-butylbutanamide
CID 79025313
4-amino-2,2-dimethylhexanoic acid
CID 91454797
2-amino-N-but-2-ynylbutanamide
CID 115976942
2,2-dimethyl-3-[(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid
CID 115731634
3-[(2-amino-2-ethylbutanoyl)amino]-2,2-dimethylpropanoic acid
CID 115427950

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminobutanoylamino)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(2-aminobutanoylamino)-2,2-dimethylpropanoic acid (CID 115427879) is 3-(2-aminobutanoylamino)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(2-aminobutanoylamino)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(2-aminobutanoylamino)-2,2-dimethylpropanoic acid is CCC(N)C(=O)NCC(C)(C)C(=O)O.
What is the InChIKey of 3-(2-aminobutanoylamino)-2,2-dimethylpropanoic acid?
The InChIKey is QVKKUJYMZXFTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-4-6(10)7(12)11-5-9(2,3)8(13)14/h6H,4-5,10H2,1-3H3,(H,11,12)(H,13,14).
What are the key properties of 3-(2-aminobutanoylamino)-2,2-dimethylpropanoic acid?
3-(2-aminobutanoylamino)-2,2-dimethylpropanoic acid has a molecular weight of 202.25 g/mol, XLogP of -0.05, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminobutanoylamino)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 115427879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).