1-aminoprop-2-enyl 2-hydroxyacetate

C5H9NO3 — CID 87104397

IUPAC1-aminoprop-2-enyl 2-hydroxyacetate
SMILESC=CC(N)OC(=O)CO
InChIInChI=1S/C5H9NO3/c1-2-4(6)9-5(8)3-7/h2,4,7H,1,3,6H2
InChIKeyFZLHGDPQALKCRU-UHFFFAOYSA-N
MW131.13 g/mol
LogP-1.01
Rot. Bonds3

About 1-aminoprop-2-enyl 2-hydroxyacetate

1-aminoprop-2-enyl 2-hydroxyacetate (PubChem CID 87104397) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is 1-aminoprop-2-enyl 2-hydroxyacetate.

Molecular Properties

Compound Name1-aminoprop-2-enyl 2-hydroxyacetate
PubChem CID87104397
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Name1-aminoprop-2-enyl 2-hydroxyacetate
SMILESC=CC(N)OC(=O)CO
InChIInChI=1S/C5H9NO3/c1-2-4(6)9-5(8)3-7/h2,4,7H,1,3,6H2
InChIKeyFZLHGDPQALKCRU-UHFFFAOYSA-N
XLogP-1.01
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-aminoprop-2-enyl 2-methylprop-2-enoate;hydrochloride
CID 87215284
oct-7-en-2-yl 2-hydroxyacetate
CID 87314552
hydroxymethyl 3-(hydroxymethyl)pent-4-enoate
CID 175239677
(2-hydroxyacetyl)oxymethyl 2-hydroxyacetate;methane
CID 161332645
1-[1-aminoprop-2-enoxy(oxo)silyl]oxyprop-2-en-1-amine
CID 88787603
phosphono 2-hydroxyacetate
CID 22320969
1-(dimethylamino)ethyl 2-hydroxyacetate
CID 154486667
1-aminoprop-2-enyl nitrate;nitric acid
CID 173387349
2-(2,2-diaminoethoxy)ethane-1,1-diamine;prop-2-enoic acid
CID 88526263
buta-1,3-dienyl 2-hydroxyacetate
CID 174778577
(2S)-2-amino-3-(2-hydroxyacetyl)oxypropanoic acid
CID 45122522
[3-[2-(2-hydroxyacetyl)oxypropanoyloxy]-2,2-bis[2-(2-hydroxyacetyl)oxypropanoyloxymethyl]propyl] 2-(2-hydroxyacetyl)oxypropanoate
CID 118909267

Frequently Asked Questions

What is the IUPAC name of 1-aminoprop-2-enyl 2-hydroxyacetate?
The IUPAC name of 1-aminoprop-2-enyl 2-hydroxyacetate (CID 87104397) is 1-aminoprop-2-enyl 2-hydroxyacetate.
What is the SMILES notation for 1-aminoprop-2-enyl 2-hydroxyacetate?
The canonical SMILES for 1-aminoprop-2-enyl 2-hydroxyacetate is C=CC(N)OC(=O)CO.
What is the InChIKey of 1-aminoprop-2-enyl 2-hydroxyacetate?
The InChIKey is FZLHGDPQALKCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3/c1-2-4(6)9-5(8)3-7/h2,4,7H,1,3,6H2.
What are the key properties of 1-aminoprop-2-enyl 2-hydroxyacetate?
1-aminoprop-2-enyl 2-hydroxyacetate has a molecular weight of 131.13 g/mol, XLogP of -1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoprop-2-enyl 2-hydroxyacetate is sourced from PubChem (CID 87104397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).