benzyl (3R)-4-amino-3-hydroxyazepane-1-carboxylate

C14H20N2O3 — CID 67555799

IUPACbenzyl (3R)-4-amino-3-hydroxyazepane-1-carboxylate
SMILESNC1CCCN(C(=O)OCc2ccccc2)C[C@H]1O
InChIInChI=1S/C14H20N2O3/c15-12-7-4-8-16(9-13(12)17)14(18)19-10-11-5-2-1-3-6-11/h1-3,5-6,12-13,17H,4,7-10,15H2/t12?,13-/m1/s1
InChIKeyDWKDPFXZJQTJHM-ZGTCLIOFSA-N
MW264.32 g/mol
LogP1.11
Rot. Bonds2

About benzyl (3R)-4-amino-3-hydroxyazepane-1-carboxylate

benzyl (3R)-4-amino-3-hydroxyazepane-1-carboxylate (PubChem CID 67555799) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is benzyl (3R)-4-amino-3-hydroxyazepane-1-carboxylate.

Molecular Properties

Compound Namebenzyl (3R)-4-amino-3-hydroxyazepane-1-carboxylate
PubChem CID67555799
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namebenzyl (3R)-4-amino-3-hydroxyazepane-1-carboxylate
SMILESNC1CCCN(C(=O)OCc2ccccc2)C[C@H]1O
InChIInChI=1S/C14H20N2O3/c15-12-7-4-8-16(9-13(12)17)14(18)19-10-11-5-2-1-3-6-11/h1-3,5-6,12-13,17H,4,7-10,15H2/t12?,13-/m1/s1
InChIKeyDWKDPFXZJQTJHM-ZGTCLIOFSA-N
XLogP1.11
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (3R,4R)-4-fluoro-3-hydroxyazepane-1-carboxylate
CID 118230294
benzyl 3-(2-aminocyclopropyl)piperidine-1-carboxylate
CID 130138209
benzyl 3-methylpiperidine-1-carboxylate;ethane
CID 144599174
benzyl 4-benzyl-3-hydroxypiperidine-1-carboxylate
CID 142093012
benzyl 3-azabicyclo[5.1.0]octane-3-carboxylate
CID 141040263
benzyl 3-(methylamino)piperidine-1-carboxylate
CID 45072221
benzyl (1R,7S)-8-oxa-3-azabicyclo[5.1.0]octane-3-carboxylate
CID 89171157
benzyl 3-(bromomethyl)piperidine-1-carboxylate
CID 23000675
benzyl 3-fluoro-4-hydroxyazocane-1-carboxylate
CID 122547417
benzyl 3-aminooxypiperidine-1-carboxylate;hydrochloride
CID 19077314
benzyl (3S)-3-acetylpiperidine-1-carboxylate
CID 86330253
benzyl (3S,4R)-3-amino-4-(hydroxymethyl)piperidine-1-carboxylate
CID 155921089

Frequently Asked Questions

What is the IUPAC name of benzyl (3R)-4-amino-3-hydroxyazepane-1-carboxylate?
The IUPAC name of benzyl (3R)-4-amino-3-hydroxyazepane-1-carboxylate (CID 67555799) is benzyl (3R)-4-amino-3-hydroxyazepane-1-carboxylate.
What is the SMILES notation for benzyl (3R)-4-amino-3-hydroxyazepane-1-carboxylate?
The canonical SMILES for benzyl (3R)-4-amino-3-hydroxyazepane-1-carboxylate is NC1CCCN(C(=O)OCc2ccccc2)C[C@H]1O.
What is the InChIKey of benzyl (3R)-4-amino-3-hydroxyazepane-1-carboxylate?
The InChIKey is DWKDPFXZJQTJHM-ZGTCLIOFSA-N. The full InChI is InChI=1S/C14H20N2O3/c15-12-7-4-8-16(9-13(12)17)14(18)19-10-11-5-2-1-3-6-11/h1-3,5-6,12-13,17H,4,7-10,15H2/t12?,13-/m1/s1.
What are the key properties of benzyl (3R)-4-amino-3-hydroxyazepane-1-carboxylate?
benzyl (3R)-4-amino-3-hydroxyazepane-1-carboxylate has a molecular weight of 264.32 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3R)-4-amino-3-hydroxyazepane-1-carboxylate is sourced from PubChem (CID 67555799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).