(E)-2-amino-3-hydrazinyl-3-methoxyprop-2-enoic acid

C4H9N3O3 — CID 156563819

IUPAC(E)-2-amino-3-hydrazinyl-3-methoxyprop-2-enoic acid
SMILESCO/C(NN)=C(/N)C(=O)O
InChIInChI=1S/C4H9N3O3/c1-10-3(7-6)2(5)4(8)9/h7H,5-6H2,1H3,(H,8,9)/b3-2+
InChIKeyYIMBPGJKSBOQAM-NSCUHMNNSA-N
MW147.13 g/mol
LogP-1.69
Rot. Bonds3

About (E)-2-amino-3-hydrazinyl-3-methoxyprop-2-enoic acid

(E)-2-amino-3-hydrazinyl-3-methoxyprop-2-enoic acid (PubChem CID 156563819) has the molecular formula C4H9N3O3 and a molecular weight of 147.13 g/mol. Its IUPAC name is (E)-2-amino-3-hydrazinyl-3-methoxyprop-2-enoic acid.

Molecular Properties

Compound Name(E)-2-amino-3-hydrazinyl-3-methoxyprop-2-enoic acid
PubChem CID156563819
Molecular FormulaC4H9N3O3
Molecular Weight147.13 g/mol
Exact Mass147.06
IUPAC Name(E)-2-amino-3-hydrazinyl-3-methoxyprop-2-enoic acid
SMILESCO/C(NN)=C(/N)C(=O)O
InChIInChI=1S/C4H9N3O3/c1-10-3(7-6)2(5)4(8)9/h7H,5-6H2,1H3,(H,8,9)/b3-2+
InChIKeyYIMBPGJKSBOQAM-NSCUHMNNSA-N
XLogP-1.69
TPSA110.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 5-1.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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

(E)-2-amino-3-hydrazinyl-3-[[4-(4-methoxyphenyl)phenyl]methoxy]prop-2-enoic acid
CID 153336984
(E)-2-amino-3-hydroxybut-2-enoic acid
CID 54736301
(E)-2-amino-3-hydrazinyl-3-(3-phenylphenoxy)prop-2-enoic acid
CID 139448993
(E)-2-amino-3-(4-cyclopropylphenoxy)-3-hydrazinylprop-2-enoic acid
CID 139449209
(E)-2-amino-3-hydrazinyl-3-(4-pyrimidin-5-ylphenoxy)prop-2-enoic acid
CID 153390918
(E)-2-amino-3-[4-(6-fluoro-4-methyl-2-pyridinyl)phenoxy]-3-hydrazinylprop-2-enoic acid
CID 153390821
2-amino-3-methylbut-2-enoic acid
CID 15383277
carbamic acid;methylhydrazine
CID 172698335
methyl carbamate;2-methylprop-2-enoic acid
CID 118388900
methyl N-hydrazinylcarbamate
CID 90211551
2-(methoxyamino)prop-2-enoic acid
CID 56613319
1,3-diaminourea;oxalic acid
CID 174832564

Frequently Asked Questions

What is the IUPAC name of (E)-2-amino-3-hydrazinyl-3-methoxyprop-2-enoic acid?
The IUPAC name of (E)-2-amino-3-hydrazinyl-3-methoxyprop-2-enoic acid (CID 156563819) is (E)-2-amino-3-hydrazinyl-3-methoxyprop-2-enoic acid.
What is the SMILES notation for (E)-2-amino-3-hydrazinyl-3-methoxyprop-2-enoic acid?
The canonical SMILES for (E)-2-amino-3-hydrazinyl-3-methoxyprop-2-enoic acid is CO/C(NN)=C(/N)C(=O)O.
What is the InChIKey of (E)-2-amino-3-hydrazinyl-3-methoxyprop-2-enoic acid?
The InChIKey is YIMBPGJKSBOQAM-NSCUHMNNSA-N. The full InChI is InChI=1S/C4H9N3O3/c1-10-3(7-6)2(5)4(8)9/h7H,5-6H2,1H3,(H,8,9)/b3-2+.
What are the key properties of (E)-2-amino-3-hydrazinyl-3-methoxyprop-2-enoic acid?
(E)-2-amino-3-hydrazinyl-3-methoxyprop-2-enoic acid has a molecular weight of 147.13 g/mol, XLogP of -1.69, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-amino-3-hydrazinyl-3-methoxyprop-2-enoic acid is sourced from PubChem (CID 156563819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).