ethyl (1S,2S,3R)-2-(hydrazinecarbonyl)-3-(phenylcarbamoyl)cyclopropane-1-carboxylate

C14H17N3O4 — CID 11876592

IUPACethyl (1S,2S,3R)-2-(hydrazinecarbonyl)-3-(phenylcarbamoyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@H]1[C@H](C(=O)Nc2ccccc2)[C@@H]1C(=O)NN
InChIInChI=1S/C14H17N3O4/c1-2-21-14(20)11-9(10(11)13(19)17-15)12(18)16-8-6-4-3-5-7-8/h3-7,9-11H,2,15H2,1H3,(H,16,18)(H,17,19)/t9-,10+,11+/m1/s1
InChIKeyAVIACSDETLXKIL-VWYCJHECSA-N
MW291.31 g/mol
LogP0.04
Rot. Bonds5

About ethyl (1S,2S,3R)-2-(hydrazinecarbonyl)-3-(phenylcarbamoyl)cyclopropane-1-carboxylate

ethyl (1S,2S,3R)-2-(hydrazinecarbonyl)-3-(phenylcarbamoyl)cyclopropane-1-carboxylate (PubChem CID 11876592) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is ethyl (1S,2S,3R)-2-(hydrazinecarbonyl)-3-(phenylcarbamoyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl (1S,2S,3R)-2-(hydrazinecarbonyl)-3-(phenylcarbamoyl)cyclopropane-1-carboxylate
PubChem CID11876592
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Nameethyl (1S,2S,3R)-2-(hydrazinecarbonyl)-3-(phenylcarbamoyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@H]1[C@H](C(=O)Nc2ccccc2)[C@@H]1C(=O)NN
InChIInChI=1S/C14H17N3O4/c1-2-21-14(20)11-9(10(11)13(19)17-15)12(18)16-8-6-4-3-5-7-8/h3-7,9-11H,2,15H2,1H3,(H,16,18)(H,17,19)/t9-,10+,11+/m1/s1
InChIKeyAVIACSDETLXKIL-VWYCJHECSA-N
XLogP0.04
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl (1S,2S,3R)-2-(hydrazinecarbonyl)-3-(phenylcarbamoyl)cyclopropane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (1R,2R,3S)-2-(hydrazinecarbonyl)-3-[[3-(trifluoromethyl)phenyl]carbamoyl]cyclopropane-1-carboxylate
CID 7202573
ethyl (1R,2R,3R)-2-(hydrazinecarbonyl)-3-[[3-(trifluoromethyl)phenyl]carbamoyl]cyclopropane-1-carboxylate
CID 7202571
ethyl 3-(phenylcarbamoyl)oxirane-2-carboxylate
CID 13150800
ethyl (1S,2R,3R)-2-(propan-2-ylcarbamoyl)-3-[[3-(trifluoromethyl)phenyl]carbamoyl]cyclopropane-1-carboxylate
CID 51383619
diethyl (1R,2S,3R,4S)-3,4-diphenylcyclobutane-1,2-dicarboxylate
CID 15261796
diethyl oxalate;N-phenylaniline
CID 174415380
ethyl 3-anilino-3-oxopropanoate
CID 3016808
16-[(4-ethoxycarbonylphenyl)carbamoyl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
CID 3764153
ethyl 2-methoxy-3-phenylcyclopropane-1-carboxylate
CID 13065907
ethyl (E)-3-anilino-2,3-diphenylprop-2-enoate
CID 101468495
ethyl (E)-3-anilino-2-chlorobut-2-enoate
CID 11345456
(15S,16S)-N-phenyl-16-propyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 1238678

Frequently Asked Questions

What is the IUPAC name of ethyl (1S,2S,3R)-2-(hydrazinecarbonyl)-3-(phenylcarbamoyl)cyclopropane-1-carboxylate?
The IUPAC name of ethyl (1S,2S,3R)-2-(hydrazinecarbonyl)-3-(phenylcarbamoyl)cyclopropane-1-carboxylate (CID 11876592) is ethyl (1S,2S,3R)-2-(hydrazinecarbonyl)-3-(phenylcarbamoyl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl (1S,2S,3R)-2-(hydrazinecarbonyl)-3-(phenylcarbamoyl)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl (1S,2S,3R)-2-(hydrazinecarbonyl)-3-(phenylcarbamoyl)cyclopropane-1-carboxylate is CCOC(=O)[C@H]1[C@H](C(=O)Nc2ccccc2)[C@@H]1C(=O)NN.
What is the InChIKey of ethyl (1S,2S,3R)-2-(hydrazinecarbonyl)-3-(phenylcarbamoyl)cyclopropane-1-carboxylate?
The InChIKey is AVIACSDETLXKIL-VWYCJHECSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-2-21-14(20)11-9(10(11)13(19)17-15)12(18)16-8-6-4-3-5-7-8/h3-7,9-11H,2,15H2,1H3,(H,16,18)(H,17,19)/t9-,10+,11+/m1/s1.
What are the key properties of ethyl (1S,2S,3R)-2-(hydrazinecarbonyl)-3-(phenylcarbamoyl)cyclopropane-1-carboxylate?
ethyl (1S,2S,3R)-2-(hydrazinecarbonyl)-3-(phenylcarbamoyl)cyclopropane-1-carboxylate has a molecular weight of 291.31 g/mol, XLogP of 0.04, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1S,2S,3R)-2-(hydrazinecarbonyl)-3-(phenylcarbamoyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 11876592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).