(2-aminoacetyl) 2-hydroxypropanoate

C5H9NO4 — CID 87499262

IUPAC(2-aminoacetyl) 2-hydroxypropanoate
SMILESCC(O)C(=O)OC(=O)CN
InChIInChI=1S/C5H9NO4/c1-3(7)5(9)10-4(8)2-6/h3,7H,2,6H2,1H3
InChIKeyOMKNQBVSXSYQHV-UHFFFAOYSA-N
MW147.13 g/mol
LogP-1.60
Rot. Bonds2

About (2-aminoacetyl) 2-hydroxypropanoate

(2-aminoacetyl) 2-hydroxypropanoate (PubChem CID 87499262) has the molecular formula C5H9NO4 and a molecular weight of 147.13 g/mol. Its IUPAC name is (2-aminoacetyl) 2-hydroxypropanoate.

Molecular Properties

Compound Name(2-aminoacetyl) 2-hydroxypropanoate
PubChem CID87499262
Molecular FormulaC5H9NO4
Molecular Weight147.13 g/mol
Exact Mass147.05
IUPAC Name(2-aminoacetyl) 2-hydroxypropanoate
SMILESCC(O)C(=O)OC(=O)CN
InChIInChI=1S/C5H9NO4/c1-3(7)5(9)10-4(8)2-6/h3,7H,2,6H2,1H3
InChIKeyOMKNQBVSXSYQHV-UHFFFAOYSA-N
XLogP-1.60
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 5-1.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Propanoic acid, 2-hydroxy-, compd. with 2-aminoethanol (1:1)
CID 11275112
D-Alanyl-D-lactate
CID 5487001
(2R)-2-{[(2R)-2-aminopropanoyl]oxy}propanoic acid hydrochloride
CID 165701792
methyl (2R)-3-amino-2-hydroxypropanoate
CID 11665404
1-Glycylglyce rol
CID 20088895
Glycinepropionic acid
CID 21252240
Ethyl 3-amino-2-hydroxypropanoate
CID 21834752
2,3-dihydroxypropyl (2S)-2-aminopropanoate
CID 45086738
2-[(2S)-2-aminopropanoyl]oxypropanoic acid
CID 45086751
Serine lactate
CID 53994562
Ethyl amino-hydroxyacetate
CID 57016976
2-Hydroxy ethylammonium lactate
CID 87299033

Frequently Asked Questions

What is the IUPAC name of (2-aminoacetyl) 2-hydroxypropanoate?
The IUPAC name of (2-aminoacetyl) 2-hydroxypropanoate (CID 87499262) is (2-aminoacetyl) 2-hydroxypropanoate.
What is the SMILES notation for (2-aminoacetyl) 2-hydroxypropanoate?
The canonical SMILES for (2-aminoacetyl) 2-hydroxypropanoate is CC(O)C(=O)OC(=O)CN.
What is the InChIKey of (2-aminoacetyl) 2-hydroxypropanoate?
The InChIKey is OMKNQBVSXSYQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO4/c1-3(7)5(9)10-4(8)2-6/h3,7H,2,6H2,1H3.
What are the key properties of (2-aminoacetyl) 2-hydroxypropanoate?
(2-aminoacetyl) 2-hydroxypropanoate has a molecular weight of 147.13 g/mol, XLogP of -1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminoacetyl) 2-hydroxypropanoate is sourced from PubChem (CID 87499262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).