2-(phenylmethoxycarbonylamino)bicyclo[3.1.0]hexane-6-carboxylic acid

C15H17NO4 — CID 165449156

IUPAC2-(phenylmethoxycarbonylamino)bicyclo[3.1.0]hexane-6-carboxylic acid
SMILESO=C(NC1CCC2C(C(=O)O)C12)OCc1ccccc1
InChIInChI=1S/C15H17NO4/c17-14(18)13-10-6-7-11(12(10)13)16-15(19)20-8-9-4-2-1-3-5-9/h1-5,10-13H,6-8H2,(H,16,19)(H,17,18)
InChIKeyWNJBVASAQAJIHE-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.02
Rot. Bonds4

About 2-(phenylmethoxycarbonylamino)bicyclo[3.1.0]hexane-6-carboxylic acid

2-(phenylmethoxycarbonylamino)bicyclo[3.1.0]hexane-6-carboxylic acid (PubChem CID 165449156) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-(phenylmethoxycarbonylamino)bicyclo[3.1.0]hexane-6-carboxylic acid.

Molecular Properties

Compound Name2-(phenylmethoxycarbonylamino)bicyclo[3.1.0]hexane-6-carboxylic acid
PubChem CID165449156
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name2-(phenylmethoxycarbonylamino)bicyclo[3.1.0]hexane-6-carboxylic acid
SMILESO=C(NC1CCC2C(C(=O)O)C12)OCc1ccccc1
InChIInChI=1S/C15H17NO4/c17-14(18)13-10-6-7-11(12(10)13)16-15(19)20-8-9-4-2-1-3-5-9/h1-5,10-13H,6-8H2,(H,16,19)(H,17,18)
InChIKeyWNJBVASAQAJIHE-UHFFFAOYSA-N
XLogP2.02
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[3.1.0]hexane-6-carboxylic acid
CID 165449157
benzyl N-[(1R,2R)-2-aminocyclobutyl]carbamate
CID 135393121
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
benzyl N-[2-(azetidin-3-yl)cyclobutyl]carbamate
CID 165350458
benzyl N-(2-hydroxycyclopropyl)carbamate
CID 69099067
benzyl N-[(1S,2R,4S,5S)-4,5-dihydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 70892702
benzyl N-[(1S,2R)-4-hydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 58822147
benzyl N-[(1S)-4-oxo-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 68602701
benzyl N-[4-hydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 14423415
benzyl N-[(1R,5R,6S)-3-azabicyclo[4.2.0]octan-5-yl]carbamate
CID 164556146
benzyl N-[(1R,2R)-2-aminocyclopentyl]carbamate
CID 44625936
benzyl N-(6-hydroxy-2-bicyclo[3.3.1]nonanyl)carbamate
CID 68556132

Frequently Asked Questions

What is the IUPAC name of 2-(phenylmethoxycarbonylamino)bicyclo[3.1.0]hexane-6-carboxylic acid?
The IUPAC name of 2-(phenylmethoxycarbonylamino)bicyclo[3.1.0]hexane-6-carboxylic acid (CID 165449156) is 2-(phenylmethoxycarbonylamino)bicyclo[3.1.0]hexane-6-carboxylic acid.
What is the SMILES notation for 2-(phenylmethoxycarbonylamino)bicyclo[3.1.0]hexane-6-carboxylic acid?
The canonical SMILES for 2-(phenylmethoxycarbonylamino)bicyclo[3.1.0]hexane-6-carboxylic acid is O=C(NC1CCC2C(C(=O)O)C12)OCc1ccccc1.
What is the InChIKey of 2-(phenylmethoxycarbonylamino)bicyclo[3.1.0]hexane-6-carboxylic acid?
The InChIKey is WNJBVASAQAJIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c17-14(18)13-10-6-7-11(12(10)13)16-15(19)20-8-9-4-2-1-3-5-9/h1-5,10-13H,6-8H2,(H,16,19)(H,17,18).
What are the key properties of 2-(phenylmethoxycarbonylamino)bicyclo[3.1.0]hexane-6-carboxylic acid?
2-(phenylmethoxycarbonylamino)bicyclo[3.1.0]hexane-6-carboxylic acid has a molecular weight of 275.30 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenylmethoxycarbonylamino)bicyclo[3.1.0]hexane-6-carboxylic acid is sourced from PubChem (CID 165449156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).