4-oxo-4-[2-[(1S,2S)-2-phenylcyclopropanecarbonyl]hydrazinyl]but-2-enoic acid

C14H14N2O4 — CID 7430948

IUPAC4-oxo-4-[2-[(1S,2S)-2-phenylcyclopropanecarbonyl]hydrazinyl]but-2-enoic acid
SMILESO=C(O)C=CC(=O)NNC(=O)[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C14H14N2O4/c17-12(6-7-13(18)19)15-16-14(20)11-8-10(11)9-4-2-1-3-5-9/h1-7,10-11H,8H2,(H,15,17)(H,16,20)(H,18,19)/t10-,11+/m1/s1
InChIKeyLNTZNXCWGIGMBO-MNOVXSKESA-N
MW274.28 g/mol
LogP0.58
Rot. Bonds4

About 4-oxo-4-[2-[(1S,2S)-2-phenylcyclopropanecarbonyl]hydrazinyl]but-2-enoic acid

4-oxo-4-[2-[(1S,2S)-2-phenylcyclopropanecarbonyl]hydrazinyl]but-2-enoic acid (PubChem CID 7430948) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 4-oxo-4-[2-[(1S,2S)-2-phenylcyclopropanecarbonyl]hydrazinyl]but-2-enoic acid.

Molecular Properties

Compound Name4-oxo-4-[2-[(1S,2S)-2-phenylcyclopropanecarbonyl]hydrazinyl]but-2-enoic acid
PubChem CID7430948
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name4-oxo-4-[2-[(1S,2S)-2-phenylcyclopropanecarbonyl]hydrazinyl]but-2-enoic acid
SMILESO=C(O)C=CC(=O)NNC(=O)[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C14H14N2O4/c17-12(6-7-13(18)19)15-16-14(20)11-8-10(11)9-4-2-1-3-5-9/h1-7,10-11H,8H2,(H,15,17)(H,16,20)(H,18,19)/t10-,11+/m1/s1
InChIKeyLNTZNXCWGIGMBO-MNOVXSKESA-N
XLogP0.58
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.58
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

cis-(1S,2R)-2-phenyl-N'-[(E)-3-phenylprop-2-enoyl]cyclopropane-1-carbohydrazide
CID 40530433
trans-(1R,2R)-N'-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-2-phenylcyclopropane-1-carbohydrazide
CID 6557039
cis-(1S,2R)-N'-(2-chloroacetyl)-2-phenylcyclopropane-1-carbohydrazide
CID 689551
(1R)-2,2-dibromo-1-methyl-N'-[(1S,2S)-2-phenylcyclopropanecarbonyl]cyclopropane-1-carbohydrazide
CID 11899326
cis-(1R,2S)-2-bromo-1-methyl-N'-[(1R,2R)-2-phenylcyclopropanecarbonyl]cyclopropane-1-carbohydrazide
CID 7353658
trans-(1S,2S)-2-bromo-1-methyl-N'-[(1R,2S)-2-phenylcyclopropanecarbonyl]cyclopropane-1-carbohydrazide
CID 11899310
cis-(1S,2R)-2-phenyl-N'-(3-phenylpropanoyl)cyclopropane-1-carbohydrazide
CID 787540
4-oxo-4-[2-[(1R,2R)-2-phenylcyclopropanecarbonyl]hydrazinyl]butanoate
CID 2255960
cis-(1S,2R)-N'-octanoyl-2-phenylcyclopropane-1-carbohydrazide
CID 2218274
3-methyl-N'-[(1S,2S)-2-phenylcyclopropanecarbonyl]benzohydrazide
CID 8022943
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
N'-[(1R,2S)-2-phenylcyclopropanecarbonyl]thiophene-2-carbohydrazide
CID 691734

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-[2-[(1S,2S)-2-phenylcyclopropanecarbonyl]hydrazinyl]but-2-enoic acid?
The IUPAC name of 4-oxo-4-[2-[(1S,2S)-2-phenylcyclopropanecarbonyl]hydrazinyl]but-2-enoic acid (CID 7430948) is 4-oxo-4-[2-[(1S,2S)-2-phenylcyclopropanecarbonyl]hydrazinyl]but-2-enoic acid.
What is the SMILES notation for 4-oxo-4-[2-[(1S,2S)-2-phenylcyclopropanecarbonyl]hydrazinyl]but-2-enoic acid?
The canonical SMILES for 4-oxo-4-[2-[(1S,2S)-2-phenylcyclopropanecarbonyl]hydrazinyl]but-2-enoic acid is O=C(O)C=CC(=O)NNC(=O)[C@H]1C[C@@H]1c1ccccc1.
What is the InChIKey of 4-oxo-4-[2-[(1S,2S)-2-phenylcyclopropanecarbonyl]hydrazinyl]but-2-enoic acid?
The InChIKey is LNTZNXCWGIGMBO-MNOVXSKESA-N. The full InChI is InChI=1S/C14H14N2O4/c17-12(6-7-13(18)19)15-16-14(20)11-8-10(11)9-4-2-1-3-5-9/h1-7,10-11H,8H2,(H,15,17)(H,16,20)(H,18,19)/t10-,11+/m1/s1.
What are the key properties of 4-oxo-4-[2-[(1S,2S)-2-phenylcyclopropanecarbonyl]hydrazinyl]but-2-enoic acid?
4-oxo-4-[2-[(1S,2S)-2-phenylcyclopropanecarbonyl]hydrazinyl]but-2-enoic acid has a molecular weight of 274.28 g/mol, XLogP of 0.58, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-[2-[(1S,2S)-2-phenylcyclopropanecarbonyl]hydrazinyl]but-2-enoic acid is sourced from PubChem (CID 7430948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).