(2S)-3-amino-2-methylpropanoate

C4H8NO2- — CID 5460213

IUPAC(2S)-3-amino-2-methylpropanoate
SMILESC[C@@H](CN)C(=O)[O-]
InChIInChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/p-1/t3-/m0/s1
InChIKeyQCHPKSFMDHPSNR-VKHMYHEASA-M
MW102.11 g/mol
LogP-1.67
Rot. Bonds2

About (2S)-3-amino-2-methylpropanoate

(2S)-3-amino-2-methylpropanoate (PubChem CID 5460213) has the molecular formula C4H8NO2- and a molecular weight of 102.11 g/mol. Its IUPAC name is (2S)-3-amino-2-methylpropanoate.

Molecular Properties

Compound Name(2S)-3-amino-2-methylpropanoate
PubChem CID5460213
Molecular FormulaC4H8NO2-
Molecular Weight102.11 g/mol
Exact Mass102.06
IUPAC Name(2S)-3-amino-2-methylpropanoate
SMILESC[C@@H](CN)C(=O)[O-]
InChIInChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/p-1/t3-/m0/s1
InChIKeyQCHPKSFMDHPSNR-VKHMYHEASA-M
XLogP-1.67
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.11
LogP ≤ 5-1.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-amino-2-methylpropanoate?
The IUPAC name of (2S)-3-amino-2-methylpropanoate (CID 5460213) is (2S)-3-amino-2-methylpropanoate.
What is the SMILES notation for (2S)-3-amino-2-methylpropanoate?
The canonical SMILES for (2S)-3-amino-2-methylpropanoate is C[C@@H](CN)C(=O)[O-].
What is the InChIKey of (2S)-3-amino-2-methylpropanoate?
The InChIKey is QCHPKSFMDHPSNR-VKHMYHEASA-M. The full InChI is InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/p-1/t3-/m0/s1.
What are the key properties of (2S)-3-amino-2-methylpropanoate?
(2S)-3-amino-2-methylpropanoate has a molecular weight of 102.11 g/mol, XLogP of -1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-amino-2-methylpropanoate is sourced from PubChem (CID 5460213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).