4-[2-[(1S,2S)-2-methyl-2-phenylcyclopropanecarbonyl]hydrazinyl]-4-oxobutanoate

C15H17N2O4- — CID 7037658

IUPAC4-[2-[(1S,2S)-2-methyl-2-phenylcyclopropanecarbonyl]hydrazinyl]-4-oxobutanoate
SMILESC[C@]1(c2ccccc2)C[C@@H]1C(=O)NNC(=O)CCC(=O)[O-]
InChIInChI=1S/C15H18N2O4/c1-15(10-5-3-2-4-6-10)9-11(15)14(21)17-16-12(18)7-8-13(19)20/h2-6,11H,7-9H2,1H3,(H,16,18)(H,17,21)(H,19,20)/p-1/t11-,15-/m1/s1
InChIKeyLGNOWUHVQARTSS-IAQYHMDHSA-M
MW289.31 g/mol
LogP-0.36
Rot. Bonds5

About 4-[2-[(1S,2S)-2-methyl-2-phenylcyclopropanecarbonyl]hydrazinyl]-4-oxobutanoate

4-[2-[(1S,2S)-2-methyl-2-phenylcyclopropanecarbonyl]hydrazinyl]-4-oxobutanoate (PubChem CID 7037658) has the molecular formula C15H17N2O4- and a molecular weight of 289.31 g/mol. Its IUPAC name is 4-[2-[(1S,2S)-2-methyl-2-phenylcyclopropanecarbonyl]hydrazinyl]-4-oxobutanoate.

Molecular Properties

Compound Name4-[2-[(1S,2S)-2-methyl-2-phenylcyclopropanecarbonyl]hydrazinyl]-4-oxobutanoate
PubChem CID7037658
Molecular FormulaC15H17N2O4-
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name4-[2-[(1S,2S)-2-methyl-2-phenylcyclopropanecarbonyl]hydrazinyl]-4-oxobutanoate
SMILESC[C@]1(c2ccccc2)C[C@@H]1C(=O)NNC(=O)CCC(=O)[O-]
InChIInChI=1S/C15H18N2O4/c1-15(10-5-3-2-4-6-10)9-11(15)14(21)17-16-12(18)7-8-13(19)20/h2-6,11H,7-9H2,1H3,(H,16,18)(H,17,21)(H,19,20)/p-1/t11-,15-/m1/s1
InChIKeyLGNOWUHVQARTSS-IAQYHMDHSA-M
XLogP-0.36
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-[2-[(1R,2S)-2-methyl-2-phenylcyclopropanecarbonyl]hydrazinyl]-4-oxobut-2-enoate
CID 11906244
4-oxo-4-[2-[(1R,2R)-2-phenylcyclopropanecarbonyl]hydrazinyl]butanoate
CID 2255960
cis-(1R,2S)-2-methyl-2-phenylcyclopropane-1-carboxylic acid
CID 94252591
cis-(1S,2R)-2-methyl-2-phenylcyclopropane-1-carboxylic acid
CID 94252590
cis-(1R,2S)-N-[(2,6-dihydroxyphenyl)methyl]-2-methyl-2-phenylcyclopropane-1-carboxamide
CID 136588702
4-(2-benzoylhydrazinyl)-4-oxobutanoate
CID 2165242
4-oxo-4-[2-(2-phenoxyacetyl)hydrazinyl]butanoate
CID 7027212
(2-hydroxy-3-methylphenyl)-[(1S,2R)-2-methyl-2-phenylcyclopropyl]methanone
CID 139114971
trans-(1S,2S)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methyl-2-phenylcyclopropane-1-carboxamide
CID 137207097
cis-(1R,2S)-N-[1-(furan-2-yl)ethylideneamino]-2-methyl-2-phenylcyclopropane-1-carboxamide
CID 129360078
[(1R,2R)-2-hexa-1,2-dien-3-yl-1-methylcyclopropyl]benzene
CID 145030351
4-[2-(2-naphthalen-1-ylacetyl)hydrazinyl]-4-oxobutanoate
CID 7948453

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(1S,2S)-2-methyl-2-phenylcyclopropanecarbonyl]hydrazinyl]-4-oxobutanoate?
The IUPAC name of 4-[2-[(1S,2S)-2-methyl-2-phenylcyclopropanecarbonyl]hydrazinyl]-4-oxobutanoate (CID 7037658) is 4-[2-[(1S,2S)-2-methyl-2-phenylcyclopropanecarbonyl]hydrazinyl]-4-oxobutanoate.
What is the SMILES notation for 4-[2-[(1S,2S)-2-methyl-2-phenylcyclopropanecarbonyl]hydrazinyl]-4-oxobutanoate?
The canonical SMILES for 4-[2-[(1S,2S)-2-methyl-2-phenylcyclopropanecarbonyl]hydrazinyl]-4-oxobutanoate is C[C@]1(c2ccccc2)C[C@@H]1C(=O)NNC(=O)CCC(=O)[O-].
What is the InChIKey of 4-[2-[(1S,2S)-2-methyl-2-phenylcyclopropanecarbonyl]hydrazinyl]-4-oxobutanoate?
The InChIKey is LGNOWUHVQARTSS-IAQYHMDHSA-M. The full InChI is InChI=1S/C15H18N2O4/c1-15(10-5-3-2-4-6-10)9-11(15)14(21)17-16-12(18)7-8-13(19)20/h2-6,11H,7-9H2,1H3,(H,16,18)(H,17,21)(H,19,20)/p-1/t11-,15-/m1/s1.
What are the key properties of 4-[2-[(1S,2S)-2-methyl-2-phenylcyclopropanecarbonyl]hydrazinyl]-4-oxobutanoate?
4-[2-[(1S,2S)-2-methyl-2-phenylcyclopropanecarbonyl]hydrazinyl]-4-oxobutanoate has a molecular weight of 289.31 g/mol, XLogP of -0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(1S,2S)-2-methyl-2-phenylcyclopropanecarbonyl]hydrazinyl]-4-oxobutanoate is sourced from PubChem (CID 7037658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).