(2S)-3,3-dimethyl-2-(2-methylpropanoylamino)butanoic acid

C10H19NO3 — CID 61143223

IUPAC(2S)-3,3-dimethyl-2-(2-methylpropanoylamino)butanoic acid
SMILESCC(C)C(=O)N[C@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C10H19NO3/c1-6(2)8(12)11-7(9(13)14)10(3,4)5/h6-7H,1-5H3,(H,11,12)(H,13,14)/t7-/m1/s1
InChIKeyUTFGFEOWXFAMFJ-SSDOTTSWSA-N
MW201.27 g/mol
LogP1.26
Rot. Bonds3

About (2S)-3,3-dimethyl-2-(2-methylpropanoylamino)butanoic acid

(2S)-3,3-dimethyl-2-(2-methylpropanoylamino)butanoic acid (PubChem CID 61143223) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is (2S)-3,3-dimethyl-2-(2-methylpropanoylamino)butanoic acid.

Molecular Properties

Compound Name(2S)-3,3-dimethyl-2-(2-methylpropanoylamino)butanoic acid
PubChem CID61143223
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name(2S)-3,3-dimethyl-2-(2-methylpropanoylamino)butanoic acid
SMILESCC(C)C(=O)N[C@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C10H19NO3/c1-6(2)8(12)11-7(9(13)14)10(3,4)5/h6-7H,1-5H3,(H,11,12)(H,13,14)/t7-/m1/s1
InChIKeyUTFGFEOWXFAMFJ-SSDOTTSWSA-N
XLogP1.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2-aminopropanoylamino)-3,3-dimethylbutanoic acid
CID 103927205
2-[(2-acetamido-3-methylbutanoyl)amino]-3,3-dimethylbutanoic acid
CID 43467424
(2S)-2-(2-ethylbutanoylamino)-3,3-dimethylbutanoic acid
CID 61143229
2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-3,3-dimethylbutanoic acid
CID 65229351
carbanide;(2S)-2-(carboxyamino)-3,3-dimethylbutanoic acid;cerium(3+)
CID 166560279
(2R)-2-[[(2S)-2-amino-3-methylpentanoyl]amino]-3,3-dimethylbutanoic acid
CID 103927168
N-[(2S)-3,3-dimethylbutan-2-yl]-2-methylpropanamide
CID 153456545
2-(methoxycarbonylamino)-3,3-dimethylbutanoic acid
CID 10330133
2-[(2,4-diamino-4-oxobutanoyl)amino]-3,3-dimethylbutanoic acid
CID 61161394
(2S)-2-[2-(aminomethyl)butanoylamino]-3,3-dimethylbutanoic acid
CID 65228808
2-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-3,3-dimethylbutanoic acid
CID 107471760
3,3-dimethyl-2-[(2-propan-2-ylsulfanylacetyl)amino]butanoic acid
CID 43467677

Frequently Asked Questions

What is the IUPAC name of (2S)-3,3-dimethyl-2-(2-methylpropanoylamino)butanoic acid?
The IUPAC name of (2S)-3,3-dimethyl-2-(2-methylpropanoylamino)butanoic acid (CID 61143223) is (2S)-3,3-dimethyl-2-(2-methylpropanoylamino)butanoic acid.
What is the SMILES notation for (2S)-3,3-dimethyl-2-(2-methylpropanoylamino)butanoic acid?
The canonical SMILES for (2S)-3,3-dimethyl-2-(2-methylpropanoylamino)butanoic acid is CC(C)C(=O)N[C@H](C(=O)O)C(C)(C)C.
What is the InChIKey of (2S)-3,3-dimethyl-2-(2-methylpropanoylamino)butanoic acid?
The InChIKey is UTFGFEOWXFAMFJ-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H19NO3/c1-6(2)8(12)11-7(9(13)14)10(3,4)5/h6-7H,1-5H3,(H,11,12)(H,13,14)/t7-/m1/s1.
What are the key properties of (2S)-3,3-dimethyl-2-(2-methylpropanoylamino)butanoic acid?
(2S)-3,3-dimethyl-2-(2-methylpropanoylamino)butanoic acid has a molecular weight of 201.27 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3,3-dimethyl-2-(2-methylpropanoylamino)butanoic acid is sourced from PubChem (CID 61143223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).