benzyl (2R,6R)-5-amino-6-hydroxy-2-methylazepane-1-carboxylate

C15H22N2O3 — CID 154193684

IUPACbenzyl (2R,6R)-5-amino-6-hydroxy-2-methylazepane-1-carboxylate
SMILESC[C@@H]1CCC(N)[C@H](O)CN1C(=O)OCc1ccccc1
InChIInChI=1S/C15H22N2O3/c1-11-7-8-13(16)14(18)9-17(11)15(19)20-10-12-5-3-2-4-6-12/h2-6,11,13-14,18H,7-10,16H2,1H3/t11-,13?,14-/m1/s1
InChIKeyCJKVNTNBIZCKJD-AODWJNRKSA-N
MW278.35 g/mol
LogP1.50
Rot. Bonds2

About benzyl (2R,6R)-5-amino-6-hydroxy-2-methylazepane-1-carboxylate

benzyl (2R,6R)-5-amino-6-hydroxy-2-methylazepane-1-carboxylate (PubChem CID 154193684) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is benzyl (2R,6R)-5-amino-6-hydroxy-2-methylazepane-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2R,6R)-5-amino-6-hydroxy-2-methylazepane-1-carboxylate
PubChem CID154193684
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Namebenzyl (2R,6R)-5-amino-6-hydroxy-2-methylazepane-1-carboxylate
SMILESC[C@@H]1CCC(N)[C@H](O)CN1C(=O)OCc1ccccc1
InChIInChI=1S/C15H22N2O3/c1-11-7-8-13(16)14(18)9-17(11)15(19)20-10-12-5-3-2-4-6-12/h2-6,11,13-14,18H,7-10,16H2,1H3/t11-,13?,14-/m1/s1
InChIKeyCJKVNTNBIZCKJD-AODWJNRKSA-N
XLogP1.50
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (2R,5R,6R)-5-amino-6-hydroxy-2-methylazepane-1-carboxylate
CID 11521972
benzyl (2S,5R)-5-hydroxy-2-methylpiperidine-1-carboxylate
CID 97112056
benzyl (2R)-5-hydroxy-2-methylpiperidine-1-carboxylate
CID 86724500
benzyl (2R,5S)-5-(aminomethyl)-2-methylpiperidine-1-carboxylate
CID 124523421
benzyl (2R,5S)-5-methoxy-2-methylpiperidine-1-carboxylate
CID 130369185
benzyl 5-hydroxy-2-methylazepane-1-carboxylate
CID 166141672
benzyl (2R,3S)-3-amino-2-methylazetidine-1-carboxylate
CID 170915415
benzyl (2R,5R)-5-azido-2-methylpiperidine-1-carboxylate
CID 90196793
(2S,4R,5R)-2,5-dimethyl-1-phenylmethoxycarbonylpiperidine-4-carboxylic acid
CID 178194460
benzyl (2S,5S)-2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 118115737
benzyl (2S,3R)-3-amino-2-methylpiperidine-1-carboxylate
CID 67432326
benzyl (3R)-4-amino-3-hydroxyazepane-1-carboxylate
CID 67555799

Frequently Asked Questions

What is the IUPAC name of benzyl (2R,6R)-5-amino-6-hydroxy-2-methylazepane-1-carboxylate?
The IUPAC name of benzyl (2R,6R)-5-amino-6-hydroxy-2-methylazepane-1-carboxylate (CID 154193684) is benzyl (2R,6R)-5-amino-6-hydroxy-2-methylazepane-1-carboxylate.
What is the SMILES notation for benzyl (2R,6R)-5-amino-6-hydroxy-2-methylazepane-1-carboxylate?
The canonical SMILES for benzyl (2R,6R)-5-amino-6-hydroxy-2-methylazepane-1-carboxylate is C[C@@H]1CCC(N)[C@H](O)CN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2R,6R)-5-amino-6-hydroxy-2-methylazepane-1-carboxylate?
The InChIKey is CJKVNTNBIZCKJD-AODWJNRKSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11-7-8-13(16)14(18)9-17(11)15(19)20-10-12-5-3-2-4-6-12/h2-6,11,13-14,18H,7-10,16H2,1H3/t11-,13?,14-/m1/s1.
What are the key properties of benzyl (2R,6R)-5-amino-6-hydroxy-2-methylazepane-1-carboxylate?
benzyl (2R,6R)-5-amino-6-hydroxy-2-methylazepane-1-carboxylate has a molecular weight of 278.35 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R,6R)-5-amino-6-hydroxy-2-methylazepane-1-carboxylate is sourced from PubChem (CID 154193684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).