3-amino-2-hydroxypropanoic acid

C3H7NO3 — CID 11267

IUPAC3-amino-2-hydroxypropanoic acid
SMILESNCC(O)C(=O)O
InChIInChI=1S/C3H7NO3/c4-1-2(5)3(6)7/h2,5H,1,4H2,(H,6,7)
InChIKeyBMYNFMYTOJXKLE-UHFFFAOYSA-N
MW105.09 g/mol
LogP-1.61
Rot. Bonds2

About 3-amino-2-hydroxypropanoic acid

3-amino-2-hydroxypropanoic acid (PubChem CID 11267) has the molecular formula C3H7NO3 and a molecular weight of 105.09 g/mol. Its IUPAC name is 3-amino-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-amino-2-hydroxypropanoic acid
PubChem CID11267
Molecular FormulaC3H7NO3
Molecular Weight105.09 g/mol
Exact Mass105.04
IUPAC Name3-amino-2-hydroxypropanoic acid
SMILESNCC(O)C(=O)O
InChIInChI=1S/C3H7NO3/c4-1-2(5)3(6)7/h2,5H,1,4H2,(H,6,7)
InChIKeyBMYNFMYTOJXKLE-UHFFFAOYSA-N
XLogP-1.61
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.09
LogP ≤ 5-1.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-hydroxypropanoic acid?
The IUPAC name of 3-amino-2-hydroxypropanoic acid (CID 11267) is 3-amino-2-hydroxypropanoic acid.
What is the SMILES notation for 3-amino-2-hydroxypropanoic acid?
The canonical SMILES for 3-amino-2-hydroxypropanoic acid is NCC(O)C(=O)O.
What is the InChIKey of 3-amino-2-hydroxypropanoic acid?
The InChIKey is BMYNFMYTOJXKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO3/c4-1-2(5)3(6)7/h2,5H,1,4H2,(H,6,7).
What are the key properties of 3-amino-2-hydroxypropanoic acid?
3-amino-2-hydroxypropanoic acid has a molecular weight of 105.09 g/mol, XLogP of -1.61, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-hydroxypropanoic acid is sourced from PubChem (CID 11267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).