(2R)-2-hydroxy-2-(prop-2-enoylamino)acetic acid

C5H7NO4 — CID 6931092

IUPAC(2R)-2-hydroxy-2-(prop-2-enoylamino)acetic acid
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)/t4-/m1/s1
InChIKeyNEYTXADIGVEHQD-SCSAIBSYSA-N
MW145.11 g/mol
LogP-1.31
Rot. Bonds3

About (2R)-2-hydroxy-2-(prop-2-enoylamino)acetic acid

(2R)-2-hydroxy-2-(prop-2-enoylamino)acetic acid (PubChem CID 6931092) has the molecular formula C5H7NO4 and a molecular weight of 145.11 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-(prop-2-enoylamino)acetic acid.

Molecular Properties

Compound Name(2R)-2-hydroxy-2-(prop-2-enoylamino)acetic acid
PubChem CID6931092
Molecular FormulaC5H7NO4
Molecular Weight145.11 g/mol
Exact Mass145.04
IUPAC Name(2R)-2-hydroxy-2-(prop-2-enoylamino)acetic acid
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)/t4-/m1/s1
InChIKeyNEYTXADIGVEHQD-SCSAIBSYSA-N
XLogP-1.31
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.11
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

Acetic acid, 2-hydroxy-2-[(1-oxo-2-propen-1-yl)amino]-
CID 92230
Acetic acid, hydroxy((1-oxo-2-propenyl)amino)-, monohydrate
CID 16211738
Methyl 2-hydroxy-2-(1-oxo-2-propenylamino)acetate
CID 157058
Acetic acid, hydroxy((1-oxo-2-propenyl)amino)-, butyl ester
CID 174780
Ethoxyethane;methyl 2-hydroxy-2-(prop-2-enoylamino)acetate
CID 17847099
1-Propoxypropane;propyl 2-hydroxy-2-(prop-2-enoylamino)acetate
CID 18954901
Propyl 2-hydroxy-2-(prop-2-enoylamino)acetate
CID 18954902
2-[Carboxy-(prop-2-enoylamino)methoxy]-2-(prop-2-enoylamino)acetic acid
CID 18954904
Ethyl 2-hydroxy-2-(prop-2-enoylamino)acetate;methoxymethane
CID 18997976
Ethyl (acryloylamino)(hydroxy)acetate
CID 18997977
1-Butoxybutane;methyl 2-hydroxy-2-(prop-2-enoylamino)acetate
CID 18997979
Ethoxyethane;ethyl 2-hydroxy-2-(prop-2-enoylamino)acetate
CID 18997981

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-2-(prop-2-enoylamino)acetic acid?
The IUPAC name of (2R)-2-hydroxy-2-(prop-2-enoylamino)acetic acid (CID 6931092) is (2R)-2-hydroxy-2-(prop-2-enoylamino)acetic acid.
What is the SMILES notation for (2R)-2-hydroxy-2-(prop-2-enoylamino)acetic acid?
The canonical SMILES for (2R)-2-hydroxy-2-(prop-2-enoylamino)acetic acid is C=CC(=O)N[C@H](O)C(=O)O.
What is the InChIKey of (2R)-2-hydroxy-2-(prop-2-enoylamino)acetic acid?
The InChIKey is NEYTXADIGVEHQD-SCSAIBSYSA-N. 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)/t4-/m1/s1.
What are the key properties of (2R)-2-hydroxy-2-(prop-2-enoylamino)acetic acid?
(2R)-2-hydroxy-2-(prop-2-enoylamino)acetic acid has a molecular weight of 145.11 g/mol, XLogP of -1.31, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2-(prop-2-enoylamino)acetic acid is sourced from PubChem (CID 6931092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).