2-hydroxy-2-(2-prop-2-enoylhydrazinyl)acetic acid

C5H8N2O4 — CID 152650647

IUPAC2-hydroxy-2-(2-prop-2-enoylhydrazinyl)acetic acid
SMILESC=CC(=O)NNC(O)C(=O)O
InChIInChI=1S/C5H8N2O4/c1-2-3(8)6-7-4(9)5(10)11/h2,4,7,9H,1H2,(H,6,8)(H,10,11)
InChIKeyZHMCQWUCBVBMSM-UHFFFAOYSA-N
MW160.13 g/mol
LogP-1.80
Rot. Bonds4

About 2-hydroxy-2-(2-prop-2-enoylhydrazinyl)acetic acid

2-hydroxy-2-(2-prop-2-enoylhydrazinyl)acetic acid (PubChem CID 152650647) has the molecular formula C5H8N2O4 and a molecular weight of 160.13 g/mol. Its IUPAC name is 2-hydroxy-2-(2-prop-2-enoylhydrazinyl)acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-(2-prop-2-enoylhydrazinyl)acetic acid
PubChem CID152650647
Molecular FormulaC5H8N2O4
Molecular Weight160.13 g/mol
Exact Mass160.05
IUPAC Name2-hydroxy-2-(2-prop-2-enoylhydrazinyl)acetic acid
SMILESC=CC(=O)NNC(O)C(=O)O
InChIInChI=1S/C5H8N2O4/c1-2-3(8)6-7-4(9)5(10)11/h2,4,7,9H,1H2,(H,6,8)(H,10,11)
InChIKeyZHMCQWUCBVBMSM-UHFFFAOYSA-N
XLogP-1.80
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.13
LogP ≤ 5-1.80
H-Bond Donors ≤ 54
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(1-hydroxypropyl)prop-2-enehydrazide
CID 140549480
N'-methylprop-2-enehydrazide
CID 19086393
N'-(prop-2-enoylamino)prop-2-enehydrazide
CID 19028369
N'-[(3Z)-hexa-3,5-dien-2-yl]prop-2-enehydrazide
CID 155302110
N-[(2S)-1,2-dihydroxy-2-(prop-2-enoylamino)ethyl]prop-2-enamide
CID 129044406
(2R)-2-hydroxy-2-(prop-2-enoylamino)acetate
CID 6931091
N-[(1S)-1-hydroxyethyl]prop-2-enamide
CID 59985905
3-methyl-2-(prop-2-enoylamino)butanoic acid
CID 3320462
(2-prop-2-enoylhydrazinyl)methyl-tripropylazanium
CID 151071649
N-(2,2-dihydroxyethyl)prop-2-enamide
CID 22929468
N'-phenylprop-2-enehydrazide
CID 21179187
N-hydroxyprop-2-enamide;hydrochloride
CID 87262131

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(2-prop-2-enoylhydrazinyl)acetic acid?
The IUPAC name of 2-hydroxy-2-(2-prop-2-enoylhydrazinyl)acetic acid (CID 152650647) is 2-hydroxy-2-(2-prop-2-enoylhydrazinyl)acetic acid.
What is the SMILES notation for 2-hydroxy-2-(2-prop-2-enoylhydrazinyl)acetic acid?
The canonical SMILES for 2-hydroxy-2-(2-prop-2-enoylhydrazinyl)acetic acid is C=CC(=O)NNC(O)C(=O)O.
What is the InChIKey of 2-hydroxy-2-(2-prop-2-enoylhydrazinyl)acetic acid?
The InChIKey is ZHMCQWUCBVBMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O4/c1-2-3(8)6-7-4(9)5(10)11/h2,4,7,9H,1H2,(H,6,8)(H,10,11).
What are the key properties of 2-hydroxy-2-(2-prop-2-enoylhydrazinyl)acetic acid?
2-hydroxy-2-(2-prop-2-enoylhydrazinyl)acetic acid has a molecular weight of 160.13 g/mol, XLogP of -1.80, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(2-prop-2-enoylhydrazinyl)acetic acid is sourced from PubChem (CID 152650647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).