2-[2-(2-methylprop-2-enoyl)hydrazinyl]propanoic acid

C7H12N2O3 — CID 88922229

IUPAC2-[2-(2-methylprop-2-enoyl)hydrazinyl]propanoic acid
SMILESC=C(C)C(=O)NNC(C)C(=O)O
InChIInChI=1S/C7H12N2O3/c1-4(2)6(10)9-8-5(3)7(11)12/h5,8H,1H2,2-3H3,(H,9,10)(H,11,12)
InChIKeyIBOZUIXJQIJTSE-UHFFFAOYSA-N
MW172.18 g/mol
LogP-0.34
Rot. Bonds4

About 2-[2-(2-methylprop-2-enoyl)hydrazinyl]propanoic acid

2-[2-(2-methylprop-2-enoyl)hydrazinyl]propanoic acid (PubChem CID 88922229) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is 2-[2-(2-methylprop-2-enoyl)hydrazinyl]propanoic acid.

Molecular Properties

Compound Name2-[2-(2-methylprop-2-enoyl)hydrazinyl]propanoic acid
PubChem CID88922229
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name2-[2-(2-methylprop-2-enoyl)hydrazinyl]propanoic acid
SMILESC=C(C)C(=O)NNC(C)C(=O)O
InChIInChI=1S/C7H12N2O3/c1-4(2)6(10)9-8-5(3)7(11)12/h5,8H,1H2,2-3H3,(H,9,10)(H,11,12)
InChIKeyIBOZUIXJQIJTSE-UHFFFAOYSA-N
XLogP-0.34
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[2-[(1S)-1-carboxyethyl]hydrazinyl]propanoic acid
CID 25136606
2-methyl-N-[(1S)-1-sulfanylethyl]prop-2-enamide
CID 134338956
N'-(2-aminopropanoyl)-2-methylprop-2-enehydrazide
CID 175440169
2-methyl-N-[(2R,3S)-3-(2-methylprop-2-enoylamino)butan-2-yl]prop-2-enamide
CID 167017883
(2S)-2-(2-methylhydrazinyl)propanoic acid;hydrochloride
CID 135156009
2-hydroxy-2-(2-methylprop-2-enoylamino)acetic acid
CID 18937473
(2S)-2-[[(1S)-1-carboxyethyl]amino]propanoic acid
CID 10953819
2-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]prop-2-enamide
CID 23064653
(2S)-2-(acetyl(15N)amino)propanoic acid
CID 102175488
N-(1-hydroxyethenyl)-2-methylprop-2-enamide
CID 174577557
N'-ethyl-2-methylprop-2-enehydrazide
CID 18424014
[(1-Carboxyethyl)amino]oxidanyl
CID 165359193

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylprop-2-enoyl)hydrazinyl]propanoic acid?
The IUPAC name of 2-[2-(2-methylprop-2-enoyl)hydrazinyl]propanoic acid (CID 88922229) is 2-[2-(2-methylprop-2-enoyl)hydrazinyl]propanoic acid.
What is the SMILES notation for 2-[2-(2-methylprop-2-enoyl)hydrazinyl]propanoic acid?
The canonical SMILES for 2-[2-(2-methylprop-2-enoyl)hydrazinyl]propanoic acid is C=C(C)C(=O)NNC(C)C(=O)O.
What is the InChIKey of 2-[2-(2-methylprop-2-enoyl)hydrazinyl]propanoic acid?
The InChIKey is IBOZUIXJQIJTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c1-4(2)6(10)9-8-5(3)7(11)12/h5,8H,1H2,2-3H3,(H,9,10)(H,11,12).
What are the key properties of 2-[2-(2-methylprop-2-enoyl)hydrazinyl]propanoic acid?
2-[2-(2-methylprop-2-enoyl)hydrazinyl]propanoic acid has a molecular weight of 172.18 g/mol, XLogP of -0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylprop-2-enoyl)hydrazinyl]propanoic acid is sourced from PubChem (CID 88922229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).