(E)-3-amino-2-methylprop-2-enoic acid;prop-2-enoic acid

C7H11NO4 — CID 87880533

IUPAC(E)-3-amino-2-methylprop-2-enoic acid;prop-2-enoic acid
SMILESC/C(=C\N)C(=O)O.C=CC(=O)O
InChIInChI=1S/C4H7NO2.C3H4O2/c1-3(2-5)4(6)7;1-2-3(4)5/h2H,5H2,1H3,(H,6,7);2H,1H2,(H,4,5)/b3-2+;
InChIKeyPMVXFVRWJVDGKT-SQQVDAMQSA-N
MW173.17 g/mol
LogP0.19
Rot. Bonds2

About (E)-3-amino-2-methylprop-2-enoic acid;prop-2-enoic acid

(E)-3-amino-2-methylprop-2-enoic acid;prop-2-enoic acid (PubChem CID 87880533) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is (E)-3-amino-2-methylprop-2-enoic acid;prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-amino-2-methylprop-2-enoic acid;prop-2-enoic acid
PubChem CID87880533
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name(E)-3-amino-2-methylprop-2-enoic acid;prop-2-enoic acid
SMILESC/C(=C\N)C(=O)O.C=CC(=O)O
InChIInChI=1S/C4H7NO2.C3H4O2/c1-3(2-5)4(6)7;1-2-3(4)5/h2H,5H2,1H3,(H,6,7);2H,1H2,(H,4,5)/b3-2+;
InChIKeyPMVXFVRWJVDGKT-SQQVDAMQSA-N
XLogP0.19
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

formamide;prop-2-enoic acid
CID 23373282
hydrazine;bis(prop-2-enoic acid)
CID 160974981
methanol;prop-2-enoic acid
CID 159043362
ethane;2-methylprop-2-enoic acid;prop-2-enoic acid
CID 173217491
2-methylprop-2-enoic acid;propan-2-one;prop-2-enoic acid
CID 174363133
sodium;ethenamine;hydride;prop-2-enoic acid
CID 173340453
2-methylprop-2-enoic acid;prop-2-enoic acid;silylsilane
CID 173358641
2-methylbut-2-enoic acid;prop-2-enenitrile;prop-2-enoic acid
CID 173419486
bis(prop-1-ene);prop-2-enoic acid
CID 118194844
methanethiol;prop-2-enoic acid
CID 158379466
prop-2-enoic acid;hydrochloride
CID 22354205
lutetium;tris(prop-2-enoic acid)
CID 168865611

Frequently Asked Questions

What is the IUPAC name of (E)-3-amino-2-methylprop-2-enoic acid;prop-2-enoic acid?
The IUPAC name of (E)-3-amino-2-methylprop-2-enoic acid;prop-2-enoic acid (CID 87880533) is (E)-3-amino-2-methylprop-2-enoic acid;prop-2-enoic acid.
What is the SMILES notation for (E)-3-amino-2-methylprop-2-enoic acid;prop-2-enoic acid?
The canonical SMILES for (E)-3-amino-2-methylprop-2-enoic acid;prop-2-enoic acid is C/C(=C\N)C(=O)O.C=CC(=O)O.
What is the InChIKey of (E)-3-amino-2-methylprop-2-enoic acid;prop-2-enoic acid?
The InChIKey is PMVXFVRWJVDGKT-SQQVDAMQSA-N. The full InChI is InChI=1S/C4H7NO2.C3H4O2/c1-3(2-5)4(6)7;1-2-3(4)5/h2H,5H2,1H3,(H,6,7);2H,1H2,(H,4,5)/b3-2+;.
What are the key properties of (E)-3-amino-2-methylprop-2-enoic acid;prop-2-enoic acid?
(E)-3-amino-2-methylprop-2-enoic acid;prop-2-enoic acid has a molecular weight of 173.17 g/mol, XLogP of 0.19, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-amino-2-methylprop-2-enoic acid;prop-2-enoic acid is sourced from PubChem (CID 87880533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).