(2S)-2-aminopropanoic acid;hydrate

C3H9NO3 — CID 71359202

IUPAC(2S)-2-aminopropanoic acid;hydrate
SMILESC[C@H](N)C(=O)O.O
InChIInChI=1S/C3H7NO2.H2O/c1-2(4)3(5)6;/h2H,4H2,1H3,(H,5,6);1H2/t2-;/m0./s1
InChIKeyMGFABWHAKRHWOV-DKWTVANSSA-N
MW107.11 g/mol
LogP-1.41
Rot. Bonds1

About (2S)-2-aminopropanoic acid;hydrate

(2S)-2-aminopropanoic acid;hydrate (PubChem CID 71359202) has the molecular formula C3H9NO3 and a molecular weight of 107.11 g/mol. Its IUPAC name is (2S)-2-aminopropanoic acid;hydrate.

Molecular Properties

Compound Name(2S)-2-aminopropanoic acid;hydrate
PubChem CID71359202
Molecular FormulaC3H9NO3
Molecular Weight107.11 g/mol
Exact Mass107.06
IUPAC Name(2S)-2-aminopropanoic acid;hydrate
SMILESC[C@H](N)C(=O)O.O
InChIInChI=1S/C3H7NO2.H2O/c1-2(4)3(5)6;/h2H,4H2,1H3,(H,5,6);1H2/t2-;/m0./s1
InChIKeyMGFABWHAKRHWOV-DKWTVANSSA-N
XLogP-1.41
TPSA94.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.11
LogP ≤ 5-1.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminopropanoic acid;hydrate?
The IUPAC name of (2S)-2-aminopropanoic acid;hydrate (CID 71359202) is (2S)-2-aminopropanoic acid;hydrate.
What is the SMILES notation for (2S)-2-aminopropanoic acid;hydrate?
The canonical SMILES for (2S)-2-aminopropanoic acid;hydrate is C[C@H](N)C(=O)O.O.
What is the InChIKey of (2S)-2-aminopropanoic acid;hydrate?
The InChIKey is MGFABWHAKRHWOV-DKWTVANSSA-N. The full InChI is InChI=1S/C3H7NO2.H2O/c1-2(4)3(5)6;/h2H,4H2,1H3,(H,5,6);1H2/t2-;/m0./s1.
What are the key properties of (2S)-2-aminopropanoic acid;hydrate?
(2S)-2-aminopropanoic acid;hydrate has a molecular weight of 107.11 g/mol, XLogP of -1.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminopropanoic acid;hydrate is sourced from PubChem (CID 71359202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).