acetic acid;3-amino-2-hydroxypropanoic acid

C5H11NO5 — CID 172822941

IUPACacetic acid;3-amino-2-hydroxypropanoic acid
SMILESCC(=O)O.NCC(O)C(=O)O
InChIInChI=1S/C3H7NO3.C2H4O2/c4-1-2(5)3(6)7;1-2(3)4/h2,5H,1,4H2,(H,6,7);1H3,(H,3,4)
InChIKeyULVIOUQGRHVPMN-UHFFFAOYSA-N
MW165.14 g/mol
LogP-1.52
Rot. Bonds2

About acetic acid;3-amino-2-hydroxypropanoic acid

acetic acid;3-amino-2-hydroxypropanoic acid (PubChem CID 172822941) has the molecular formula C5H11NO5 and a molecular weight of 165.14 g/mol. Its IUPAC name is acetic acid;3-amino-2-hydroxypropanoic acid.

Molecular Properties

Compound Nameacetic acid;3-amino-2-hydroxypropanoic acid
PubChem CID172822941
Molecular FormulaC5H11NO5
Molecular Weight165.14 g/mol
Exact Mass165.06
IUPAC Nameacetic acid;3-amino-2-hydroxypropanoic acid
SMILESCC(=O)O.NCC(O)C(=O)O
InChIInChI=1S/C3H7NO3.C2H4O2/c4-1-2(5)3(6)7;1-2(3)4/h2,5H,1,4H2,(H,6,7);1H3,(H,3,4)
InChIKeyULVIOUQGRHVPMN-UHFFFAOYSA-N
XLogP-1.52
TPSA120.85 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.14
LogP ≤ 5-1.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze acetic acid;3-amino-2-hydroxypropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-3-amino-2-hydroxypropanoic acid;hydrochloride
CID 87417559
3-amino-2-hydroxypropanoic acid;oxalic acid
CID 162306436
4-amino-3-hydroxybutan-2-one
CID 22025309
4-amino-3-hydroxybutan-2-one;molecular hydrogen
CID 144542885
acetic acid;1,3-diaminopropan-2-ol;ethane-1,2-diamine
CID 160667844
acetic acid;methanediamine
CID 162329452
acetic acid;copper;2-methylpropan-1-amine
CID 88782115
acetic acid;3-aminopropane-1,2-diol
CID 158327345
acetic acid;copper;2-hydroxybutanedioic acid
CID 175107089
CID 173365109
CID 173365109
(2S)-3-amino-3-deuterio-2-hydroxypropanoic acid
CID 171370857
(2S,4S)-5-amino-4-fluoro-2-hydroxypentanoic acid
CID 139667914

Frequently Asked Questions

What is the IUPAC name of acetic acid;3-amino-2-hydroxypropanoic acid?
The IUPAC name of acetic acid;3-amino-2-hydroxypropanoic acid (CID 172822941) is acetic acid;3-amino-2-hydroxypropanoic acid.
What is the SMILES notation for acetic acid;3-amino-2-hydroxypropanoic acid?
The canonical SMILES for acetic acid;3-amino-2-hydroxypropanoic acid is CC(=O)O.NCC(O)C(=O)O.
What is the InChIKey of acetic acid;3-amino-2-hydroxypropanoic acid?
The InChIKey is ULVIOUQGRHVPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO3.C2H4O2/c4-1-2(5)3(6)7;1-2(3)4/h2,5H,1,4H2,(H,6,7);1H3,(H,3,4).
What are the key properties of acetic acid;3-amino-2-hydroxypropanoic acid?
acetic acid;3-amino-2-hydroxypropanoic acid has a molecular weight of 165.14 g/mol, XLogP of -1.52, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;3-amino-2-hydroxypropanoic acid is sourced from PubChem (CID 172822941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).