4-oxo-4-[2-[(1R,2R)-2-phenylcyclopropanecarbonyl]hydrazinyl]butanoate

C14H15N2O4- — CID 2255960

IUPAC4-oxo-4-[2-[(1R,2R)-2-phenylcyclopropanecarbonyl]hydrazinyl]butanoate
SMILESO=C([O-])CCC(=O)NNC(=O)[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C14H16N2O4/c17-12(6-7-13(18)19)15-16-14(20)11-8-10(11)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,15,17)(H,16,20)(H,18,19)/p-1/t10-,11+/m0/s1
InChIKeySTVUMTXFVQYPMH-WDEREUQCSA-M
MW275.28 g/mol
LogP-0.53
Rot. Bonds5

About 4-oxo-4-[2-[(1R,2R)-2-phenylcyclopropanecarbonyl]hydrazinyl]butanoate

4-oxo-4-[2-[(1R,2R)-2-phenylcyclopropanecarbonyl]hydrazinyl]butanoate (PubChem CID 2255960) has the molecular formula C14H15N2O4- and a molecular weight of 275.28 g/mol. Its IUPAC name is 4-oxo-4-[2-[(1R,2R)-2-phenylcyclopropanecarbonyl]hydrazinyl]butanoate.

Molecular Properties

Compound Name4-oxo-4-[2-[(1R,2R)-2-phenylcyclopropanecarbonyl]hydrazinyl]butanoate
PubChem CID2255960
Molecular FormulaC14H15N2O4-
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Name4-oxo-4-[2-[(1R,2R)-2-phenylcyclopropanecarbonyl]hydrazinyl]butanoate
SMILESO=C([O-])CCC(=O)NNC(=O)[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C14H16N2O4/c17-12(6-7-13(18)19)15-16-14(20)11-8-10(11)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,15,17)(H,16,20)(H,18,19)/p-1/t10-,11+/m0/s1
InChIKeySTVUMTXFVQYPMH-WDEREUQCSA-M
XLogP-0.53
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 5-0.53
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

cis-(1S,2R)-2-phenyl-N'-(3-phenylpropanoyl)cyclopropane-1-carbohydrazide
CID 787540
cis-(1S,2R)-N'-(2-chloroacetyl)-2-phenylcyclopropane-1-carbohydrazide
CID 689551
cis-(1S,2R)-N'-octanoyl-2-phenylcyclopropane-1-carbohydrazide
CID 2218274
4-[2-[(1S,2S)-2-methyl-2-phenylcyclopropanecarbonyl]hydrazinyl]-4-oxobutanoate
CID 7037658
4-oxo-4-[2-[(1S,2S)-2-phenylcyclopropanecarbonyl]hydrazinyl]but-2-enoic acid
CID 7430948
4-nitro-N'-[(1S,2R)-2-phenylcyclopropanecarbonyl]benzohydrazide
CID 6938443
(1R)-2,2-dibromo-1-methyl-N'-[(1S,2S)-2-phenylcyclopropanecarbonyl]cyclopropane-1-carbohydrazide
CID 11899326
cis-(1S,2R)-2-phenyl-N'-[(E)-3-phenylprop-2-enoyl]cyclopropane-1-carbohydrazide
CID 40530433
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-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
N-(2-hydroxy-2-methylpropyl)-2-phenylcyclopropane-1-carboxamide
CID 79039782

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-[2-[(1R,2R)-2-phenylcyclopropanecarbonyl]hydrazinyl]butanoate?
The IUPAC name of 4-oxo-4-[2-[(1R,2R)-2-phenylcyclopropanecarbonyl]hydrazinyl]butanoate (CID 2255960) is 4-oxo-4-[2-[(1R,2R)-2-phenylcyclopropanecarbonyl]hydrazinyl]butanoate.
What is the SMILES notation for 4-oxo-4-[2-[(1R,2R)-2-phenylcyclopropanecarbonyl]hydrazinyl]butanoate?
The canonical SMILES for 4-oxo-4-[2-[(1R,2R)-2-phenylcyclopropanecarbonyl]hydrazinyl]butanoate is O=C([O-])CCC(=O)NNC(=O)[C@@H]1C[C@H]1c1ccccc1.
What is the InChIKey of 4-oxo-4-[2-[(1R,2R)-2-phenylcyclopropanecarbonyl]hydrazinyl]butanoate?
The InChIKey is STVUMTXFVQYPMH-WDEREUQCSA-M. The full InChI is InChI=1S/C14H16N2O4/c17-12(6-7-13(18)19)15-16-14(20)11-8-10(11)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,15,17)(H,16,20)(H,18,19)/p-1/t10-,11+/m0/s1.
What are the key properties of 4-oxo-4-[2-[(1R,2R)-2-phenylcyclopropanecarbonyl]hydrazinyl]butanoate?
4-oxo-4-[2-[(1R,2R)-2-phenylcyclopropanecarbonyl]hydrazinyl]butanoate has a molecular weight of 275.28 g/mol, XLogP of -0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-[2-[(1R,2R)-2-phenylcyclopropanecarbonyl]hydrazinyl]butanoate is sourced from PubChem (CID 2255960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).