(2R)-2-hydroxy-2-(prop-2-enoylamino)acetate

C5H6NO4- — CID 6931091

IUPAC(2R)-2-hydroxy-2-(prop-2-enoylamino)acetate
SMILESC=CC(=O)N[C@H](O)C(=O)[O-]
InChIInChI=1S/C5H7NO4/c1-2-3(7)6-4(8)5(9)10/h2,4,8H,1H2,(H,6,7)(H,9,10)/p-1/t4-/m1/s1
InChIKeyNEYTXADIGVEHQD-SCSAIBSYSA-M
MW144.11 g/mol
LogP-2.64
Rot. Bonds3

About (2R)-2-hydroxy-2-(prop-2-enoylamino)acetate

(2R)-2-hydroxy-2-(prop-2-enoylamino)acetate (PubChem CID 6931091) has the molecular formula C5H6NO4- and a molecular weight of 144.11 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-(prop-2-enoylamino)acetate.

Molecular Properties

Compound Name(2R)-2-hydroxy-2-(prop-2-enoylamino)acetate
PubChem CID6931091
Molecular FormulaC5H6NO4-
Molecular Weight144.11 g/mol
Exact Mass144.03
IUPAC Name(2R)-2-hydroxy-2-(prop-2-enoylamino)acetate
SMILESC=CC(=O)N[C@H](O)C(=O)[O-]
InChIInChI=1S/C5H7NO4/c1-2-3(7)6-4(8)5(9)10/h2,4,8H,1H2,(H,6,7)(H,9,10)/p-1/t4-/m1/s1
InChIKeyNEYTXADIGVEHQD-SCSAIBSYSA-M
XLogP-2.64
TPSA89.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.11
LogP ≤ 5-2.64
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-1,2-dihydroxy-2-(prop-2-enoylamino)ethyl]prop-2-enamide
CID 129044406
N-[(1S)-1-hydroxyethyl]prop-2-enamide
CID 59985905
propan-2-yl 2-hydroxy-2-(prop-2-enoylamino)acetate
CID 18997975
ethyl 2-hydroxy-2-(prop-2-enoylamino)acetate;methoxymethane
CID 18997976
methoxymethane;propan-2-yl 2-hydroxy-2-(prop-2-enoylamino)acetate
CID 18997974
bis(prop-2-enoylamino)methanesulfonate
CID 140789014
N-[1,2-dihydroxy-2-(methylamino)ethyl]prop-2-enamide
CID 144596599
sodium N-propan-2-ylprop-2-enamide
CID 19004870
N-[2-hydroxy-2-(prop-2-enoylamino)ethyl]prop-2-enamide
CID 87314754
sodium;hydride;N-propan-2-ylprop-2-enamide
CID 173347226
N-(1,2-dihydroxybutyl)prop-2-enamide
CID 174879831
N-(4-hydroxyhexan-3-yl)prop-2-enamide
CID 176975317

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-2-(prop-2-enoylamino)acetate?
The IUPAC name of (2R)-2-hydroxy-2-(prop-2-enoylamino)acetate (CID 6931091) is (2R)-2-hydroxy-2-(prop-2-enoylamino)acetate.
What is the SMILES notation for (2R)-2-hydroxy-2-(prop-2-enoylamino)acetate?
The canonical SMILES for (2R)-2-hydroxy-2-(prop-2-enoylamino)acetate is C=CC(=O)N[C@H](O)C(=O)[O-].
What is the InChIKey of (2R)-2-hydroxy-2-(prop-2-enoylamino)acetate?
The InChIKey is NEYTXADIGVEHQD-SCSAIBSYSA-M. The full InChI is InChI=1S/C5H7NO4/c1-2-3(7)6-4(8)5(9)10/h2,4,8H,1H2,(H,6,7)(H,9,10)/p-1/t4-/m1/s1.
What are the key properties of (2R)-2-hydroxy-2-(prop-2-enoylamino)acetate?
(2R)-2-hydroxy-2-(prop-2-enoylamino)acetate has a molecular weight of 144.11 g/mol, XLogP of -2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2-(prop-2-enoylamino)acetate is sourced from PubChem (CID 6931091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).