(2S)-2-(tert-butylamino)-3-methylbutanoic acid

C9H19NO2 — CID 12837673

IUPAC(2S)-2-(tert-butylamino)-3-methylbutanoic acid
SMILESCC(C)[C@H](NC(C)(C)C)C(=O)O
InChIInChI=1S/C9H19NO2/c1-6(2)7(8(11)12)10-9(3,4)5/h6-7,10H,1-5H3,(H,11,12)/t7-/m0/s1
InChIKeyFLAMJKCIVJROHA-ZETCQYMHSA-N
MW173.26 g/mol
LogP1.48
Rot. Bonds3

About (2S)-2-(tert-butylamino)-3-methylbutanoic acid

(2S)-2-(tert-butylamino)-3-methylbutanoic acid (PubChem CID 12837673) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (2S)-2-(tert-butylamino)-3-methylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-(tert-butylamino)-3-methylbutanoic acid
PubChem CID12837673
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(2S)-2-(tert-butylamino)-3-methylbutanoic acid
SMILESCC(C)[C@H](NC(C)(C)C)C(=O)O
InChIInChI=1S/C9H19NO2/c1-6(2)7(8(11)12)10-9(3,4)5/h6-7,10H,1-5H3,(H,11,12)/t7-/m0/s1
InChIKeyFLAMJKCIVJROHA-ZETCQYMHSA-N
XLogP1.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,3-dimethylbutan-2-ylamino)-3-methylbutanoic acid
CID 103265266
(2S)-3-methyl-2-(methylamino)butanoic acid
CID 161459292
3-methyl-2-(methylamino)butanoic acid
CID 4378
(2R)-2-(tert-butylsulfamoylamino)-3-methylbutanoic acid
CID 104977951
(2S)-2-(tert-butylamino)-3-methyl-N-[(2S)-4-methyl-3-oxopentan-2-yl]butanamide
CID 138482618
(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxyamino]butanoic acid
CID 54446615
(2S)-2-(tert-butylamino)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]-3-methylbutanamide
CID 166671320
(2R)-3-methyl-2-(tritylamino)butanoic acid
CID 40522874
2-(tert-butylamino)-2-chloroacetic acid
CID 142800381
2-(tert-butylamino)-4-methylpentan-3-one
CID 134376563
(2S)-2-[3-(tert-butylamino)propanoylamino]-3-methylbutanoic acid
CID 61174193
(2R)-2-[[(2S)-2-(tert-butylamino)propanoyl]amino]propanoic acid
CID 130454125

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(tert-butylamino)-3-methylbutanoic acid?
The IUPAC name of (2S)-2-(tert-butylamino)-3-methylbutanoic acid (CID 12837673) is (2S)-2-(tert-butylamino)-3-methylbutanoic acid.
What is the SMILES notation for (2S)-2-(tert-butylamino)-3-methylbutanoic acid?
The canonical SMILES for (2S)-2-(tert-butylamino)-3-methylbutanoic acid is CC(C)[C@H](NC(C)(C)C)C(=O)O.
What is the InChIKey of (2S)-2-(tert-butylamino)-3-methylbutanoic acid?
The InChIKey is FLAMJKCIVJROHA-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H19NO2/c1-6(2)7(8(11)12)10-9(3,4)5/h6-7,10H,1-5H3,(H,11,12)/t7-/m0/s1.
What are the key properties of (2S)-2-(tert-butylamino)-3-methylbutanoic acid?
(2S)-2-(tert-butylamino)-3-methylbutanoic acid has a molecular weight of 173.26 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(tert-butylamino)-3-methylbutanoic acid is sourced from PubChem (CID 12837673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).