3-azabicyclo[3.1.0]hexan-6-ylmethyl N-(2-phenylphenyl)carbamate;2,3-dihydroxybutanedioic acid

C23H26N2O8 — CID 15983390

IUPAC3-azabicyclo[3.1.0]hexan-6-ylmethyl N-(2-phenylphenyl)carbamate;2,3-dihydroxybutanedioic acid
SMILESO=C(Nc1ccccc1-c1ccccc1)OCC1C2CNCC21.O=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/C19H20N2O2.C4H6O6/c22-19(23-12-17-15-10-20-11-16(15)17)21-18-9-5-4-8-14(18)13-6-2-1-3-7-13;5-1(3(7)8)2(6)4(9)10/h1-9,15-17,20H,10-12H2,(H,21,22);1-2,5-6H,(H,7,8)(H,9,10)
InChIKeyMWHOLRPBRFZYQE-UHFFFAOYSA-N
MW458.47 g/mol
LogP1.24
Rot. Bonds7

About 3-azabicyclo[3.1.0]hexan-6-ylmethyl N-(2-phenylphenyl)carbamate;2,3-dihydroxybutanedioic acid

3-azabicyclo[3.1.0]hexan-6-ylmethyl N-(2-phenylphenyl)carbamate;2,3-dihydroxybutanedioic acid (PubChem CID 15983390) has the molecular formula C23H26N2O8 and a molecular weight of 458.47 g/mol. Its IUPAC name is 3-azabicyclo[3.1.0]hexan-6-ylmethyl N-(2-phenylphenyl)carbamate;2,3-dihydroxybutanedioic acid.

Molecular Properties

Compound Name3-azabicyclo[3.1.0]hexan-6-ylmethyl N-(2-phenylphenyl)carbamate;2,3-dihydroxybutanedioic acid
PubChem CID15983390
Molecular FormulaC23H26N2O8
Molecular Weight458.47 g/mol
Exact Mass458.17
IUPAC Name3-azabicyclo[3.1.0]hexan-6-ylmethyl N-(2-phenylphenyl)carbamate;2,3-dihydroxybutanedioic acid
SMILESO=C(Nc1ccccc1-c1ccccc1)OCC1C2CNCC21.O=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/C19H20N2O2.C4H6O6/c22-19(23-12-17-15-10-20-11-16(15)17)21-18-9-5-4-8-14(18)13-6-2-1-3-7-13;5-1(3(7)8)2(6)4(9)10/h1-9,15-17,20H,10-12H2,(H,21,22);1-2,5-6H,(H,7,8)(H,9,10)
InChIKeyMWHOLRPBRFZYQE-UHFFFAOYSA-N
XLogP1.24
TPSA165.42 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.47
LogP ≤ 51.24
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Analyze 3-azabicyclo[3.1.0]hexan-6-ylmethyl N-(2-phenylphenyl)carbamate;2,3-dihydroxybutanedioic acid 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

pyrrolidin-2-ylmethyl N-(2-phenylphenyl)carbamate
CID 163634504
acetic acid;9H-fluoren-9-ylmethyl N-(2-phenylphenyl)carbamate
CID 66925363
[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl N-[2-(4-phenylphenyl)phenyl]carbamate
CID 69311024
2-phenylbenzoic acid;[(2S)-pyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate
CID 121411230
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;(2-phenylphenyl)carbamic acid
CID 145294233
2-(diethylamino)ethyl N-(2-phenylphenyl)carbamate
CID 24836570
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;ethane;methane;(2-phenylphenyl)carbamic acid;propane
CID 145294184
(2S,3S)-3-methyl-2-[(2-phenylphenyl)carbamoylamino]pentanamide
CID 97307942
(4-methylpiperidin-4-yl) N-(2-phenylphenyl)carbamate
CID 10380701
1-cyclopropyl-3-(2-phenylphenyl)urea
CID 47195783
9H-fluoren-9-ylmethyl N-(2-piperidin-4-ylphenyl)carbamate
CID 131725247
diethyl 2-[(2-phenylphenyl)carbamoylamino]propanedioate
CID 3756272

Frequently Asked Questions

What is the IUPAC name of 3-azabicyclo[3.1.0]hexan-6-ylmethyl N-(2-phenylphenyl)carbamate;2,3-dihydroxybutanedioic acid?
The IUPAC name of 3-azabicyclo[3.1.0]hexan-6-ylmethyl N-(2-phenylphenyl)carbamate;2,3-dihydroxybutanedioic acid (CID 15983390) is 3-azabicyclo[3.1.0]hexan-6-ylmethyl N-(2-phenylphenyl)carbamate;2,3-dihydroxybutanedioic acid.
What is the SMILES notation for 3-azabicyclo[3.1.0]hexan-6-ylmethyl N-(2-phenylphenyl)carbamate;2,3-dihydroxybutanedioic acid?
The canonical SMILES for 3-azabicyclo[3.1.0]hexan-6-ylmethyl N-(2-phenylphenyl)carbamate;2,3-dihydroxybutanedioic acid is O=C(Nc1ccccc1-c1ccccc1)OCC1C2CNCC21.O=C(O)C(O)C(O)C(=O)O.
What is the InChIKey of 3-azabicyclo[3.1.0]hexan-6-ylmethyl N-(2-phenylphenyl)carbamate;2,3-dihydroxybutanedioic acid?
The InChIKey is MWHOLRPBRFZYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2.C4H6O6/c22-19(23-12-17-15-10-20-11-16(15)17)21-18-9-5-4-8-14(18)13-6-2-1-3-7-13;5-1(3(7)8)2(6)4(9)10/h1-9,15-17,20H,10-12H2,(H,21,22);1-2,5-6H,(H,7,8)(H,9,10).
What are the key properties of 3-azabicyclo[3.1.0]hexan-6-ylmethyl N-(2-phenylphenyl)carbamate;2,3-dihydroxybutanedioic acid?
3-azabicyclo[3.1.0]hexan-6-ylmethyl N-(2-phenylphenyl)carbamate;2,3-dihydroxybutanedioic acid has a molecular weight of 458.47 g/mol, XLogP of 1.24, 7 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azabicyclo[3.1.0]hexan-6-ylmethyl N-(2-phenylphenyl)carbamate;2,3-dihydroxybutanedioic acid is sourced from PubChem (CID 15983390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).