2-hydroxypropanoyl (2R)-2-amino-3-hydroxypropanoate

C6H11NO5 — CID 118649421

IUPAC2-hydroxypropanoyl (2R)-2-amino-3-hydroxypropanoate
SMILESCC(O)C(=O)OC(=O)[C@H](N)CO
InChIInChI=1S/C6H11NO5/c1-3(9)5(10)12-6(11)4(7)2-8/h3-4,8-9H,2,7H2,1H3/t3?,4-/m1/s1
InChIKeyIIBSMNPSLUMPGP-SRBOSORUSA-N
MW177.16 g/mol
LogP-2.24
Rot. Bonds3

About 2-hydroxypropanoyl (2R)-2-amino-3-hydroxypropanoate

2-hydroxypropanoyl (2R)-2-amino-3-hydroxypropanoate (PubChem CID 118649421) has the molecular formula C6H11NO5 and a molecular weight of 177.16 g/mol. Its IUPAC name is 2-hydroxypropanoyl (2R)-2-amino-3-hydroxypropanoate.

Molecular Properties

Compound Name2-hydroxypropanoyl (2R)-2-amino-3-hydroxypropanoate
PubChem CID118649421
Molecular FormulaC6H11NO5
Molecular Weight177.16 g/mol
Exact Mass177.06
IUPAC Name2-hydroxypropanoyl (2R)-2-amino-3-hydroxypropanoate
SMILESCC(O)C(=O)OC(=O)[C@H](N)CO
InChIInChI=1S/C6H11NO5/c1-3(9)5(10)12-6(11)4(7)2-8/h3-4,8-9H,2,7H2,1H3/t3?,4-/m1/s1
InChIKeyIIBSMNPSLUMPGP-SRBOSORUSA-N
XLogP-2.24
TPSA109.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 5-2.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-hydroxypropanoyl (2R)-2-amino-3-hydroxypropanoate 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

2-hydroxypropanoyl (2S)-2,5-diamino-5-oxopentanoate
CID 87119141
calcium;alumane;hydride;2-hydroxypropanoyl 2-hydroxypropanoate
CID 173336900
[(2R)-1-hydroxypropan-2-yl] (2S)-2-hydroxypropanoate
CID 167060953
methyl (2S)-2-amino-3-hydroxypropanoate
CID 2723731
(2S)-2-amino-3-hydroxypropanoic acid;[(2S)-2-aminopropanoyl] (2S,3R)-2-amino-3-hydroxybutanoate
CID 87194814
methyl 2-amino-3-hydroxypropanoate;hydrochloride
CID 517373
(2-aminoacetyl) 2-hydroxypropanoate
CID 87499262
(2R)-2-amino-1-hydroxypentan-3-one
CID 146364996
phosphanyl (2S)-2-amino-3-hydroxypropanoate
CID 174799814
(2-amino-3-sulfanylpropanoyl) 2,3-dihydroxypropanoate
CID 18977747
propyl (2R)-2-amino-3-hydroxypropanoate
CID 55281348
(2-aminoacetyl) 2-hydroxypropanoate;copper
CID 87635817

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropanoyl (2R)-2-amino-3-hydroxypropanoate?
The IUPAC name of 2-hydroxypropanoyl (2R)-2-amino-3-hydroxypropanoate (CID 118649421) is 2-hydroxypropanoyl (2R)-2-amino-3-hydroxypropanoate.
What is the SMILES notation for 2-hydroxypropanoyl (2R)-2-amino-3-hydroxypropanoate?
The canonical SMILES for 2-hydroxypropanoyl (2R)-2-amino-3-hydroxypropanoate is CC(O)C(=O)OC(=O)[C@H](N)CO.
What is the InChIKey of 2-hydroxypropanoyl (2R)-2-amino-3-hydroxypropanoate?
The InChIKey is IIBSMNPSLUMPGP-SRBOSORUSA-N. The full InChI is InChI=1S/C6H11NO5/c1-3(9)5(10)12-6(11)4(7)2-8/h3-4,8-9H,2,7H2,1H3/t3?,4-/m1/s1.
What are the key properties of 2-hydroxypropanoyl (2R)-2-amino-3-hydroxypropanoate?
2-hydroxypropanoyl (2R)-2-amino-3-hydroxypropanoate has a molecular weight of 177.16 g/mol, XLogP of -2.24, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropanoyl (2R)-2-amino-3-hydroxypropanoate is sourced from PubChem (CID 118649421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).