(1S,2R,4R,5S,6S)-2-amino-4-(naphthalen-2-ylcarbamoyloxy)bicyclo[3.1.0]hexane-2,6-dicarboxylic acid

C19H18N2O6 — CID 91534191

IUPAC(1S,2R,4R,5S,6S)-2-amino-4-(naphthalen-2-ylcarbamoyloxy)bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
SMILESN[C@]1(C(=O)O)C[C@@H](OC(=O)Nc2ccc3ccccc3c2)[C@@H]2[C@@H](C(=O)O)[C@H]21
InChIInChI=1S/C19H18N2O6/c20-19(17(24)25)8-12(13-14(15(13)19)16(22)23)27-18(26)21-11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-15H,8,20H2,(H,21,26)(H,22,23)(H,24,25)/t12-,13-,14-,15+,19-/m1/s1
InChIKeyYWLZNLQXWVZZGB-DQQFRQOVSA-N
MW370.36 g/mol
LogP1.89
Rot. Bonds4

About (1S,2R,4R,5S,6S)-2-amino-4-(naphthalen-2-ylcarbamoyloxy)bicyclo[3.1.0]hexane-2,6-dicarboxylic acid

(1S,2R,4R,5S,6S)-2-amino-4-(naphthalen-2-ylcarbamoyloxy)bicyclo[3.1.0]hexane-2,6-dicarboxylic acid (PubChem CID 91534191) has the molecular formula C19H18N2O6 and a molecular weight of 370.36 g/mol. Its IUPAC name is (1S,2R,4R,5S,6S)-2-amino-4-(naphthalen-2-ylcarbamoyloxy)bicyclo[3.1.0]hexane-2,6-dicarboxylic acid.

Molecular Properties

Compound Name(1S,2R,4R,5S,6S)-2-amino-4-(naphthalen-2-ylcarbamoyloxy)bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
PubChem CID91534191
Molecular FormulaC19H18N2O6
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC Name(1S,2R,4R,5S,6S)-2-amino-4-(naphthalen-2-ylcarbamoyloxy)bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
SMILESN[C@]1(C(=O)O)C[C@@H](OC(=O)Nc2ccc3ccccc3c2)[C@@H]2[C@@H](C(=O)O)[C@H]21
InChIInChI=1S/C19H18N2O6/c20-19(17(24)25)8-12(13-14(15(13)19)16(22)23)27-18(26)21-11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-15H,8,20H2,(H,21,26)(H,22,23)(H,24,25)/t12-,13-,14-,15+,19-/m1/s1
InChIKeyYWLZNLQXWVZZGB-DQQFRQOVSA-N
XLogP1.89
TPSA138.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 51.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,4R,5S,6S)-2-amino-4-(naphthalen-2-ylcarbamoyloxy)bicyclo[3.1.0]hexane-2,6-dicarboxylic acid?
The IUPAC name of (1S,2R,4R,5S,6S)-2-amino-4-(naphthalen-2-ylcarbamoyloxy)bicyclo[3.1.0]hexane-2,6-dicarboxylic acid (CID 91534191) is (1S,2R,4R,5S,6S)-2-amino-4-(naphthalen-2-ylcarbamoyloxy)bicyclo[3.1.0]hexane-2,6-dicarboxylic acid.
What is the SMILES notation for (1S,2R,4R,5S,6S)-2-amino-4-(naphthalen-2-ylcarbamoyloxy)bicyclo[3.1.0]hexane-2,6-dicarboxylic acid?
The canonical SMILES for (1S,2R,4R,5S,6S)-2-amino-4-(naphthalen-2-ylcarbamoyloxy)bicyclo[3.1.0]hexane-2,6-dicarboxylic acid is N[C@]1(C(=O)O)C[C@@H](OC(=O)Nc2ccc3ccccc3c2)[C@@H]2[C@@H](C(=O)O)[C@H]21.
What is the InChIKey of (1S,2R,4R,5S,6S)-2-amino-4-(naphthalen-2-ylcarbamoyloxy)bicyclo[3.1.0]hexane-2,6-dicarboxylic acid?
The InChIKey is YWLZNLQXWVZZGB-DQQFRQOVSA-N. The full InChI is InChI=1S/C19H18N2O6/c20-19(17(24)25)8-12(13-14(15(13)19)16(22)23)27-18(26)21-11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-15H,8,20H2,(H,21,26)(H,22,23)(H,24,25)/t12-,13-,14-,15+,19-/m1/s1.
What are the key properties of (1S,2R,4R,5S,6S)-2-amino-4-(naphthalen-2-ylcarbamoyloxy)bicyclo[3.1.0]hexane-2,6-dicarboxylic acid?
(1S,2R,4R,5S,6S)-2-amino-4-(naphthalen-2-ylcarbamoyloxy)bicyclo[3.1.0]hexane-2,6-dicarboxylic acid has a molecular weight of 370.36 g/mol, XLogP of 1.89, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4R,5S,6S)-2-amino-4-(naphthalen-2-ylcarbamoyloxy)bicyclo[3.1.0]hexane-2,6-dicarboxylic acid is sourced from PubChem (CID 91534191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).