benzyl N-[(3S)-4-amino-1-adamantyl]carbamate;hydrochloride

C18H25ClN2O2 — CID 66863334

IUPACbenzyl N-[(3S)-4-amino-1-adamantyl]carbamate;hydrochloride
SMILESCl.NC1C2CC3C[C@H]1CC(NC(=O)OCc1ccccc1)(C3)C2
InChIInChI=1S/C18H24N2O2.ClH/c19-16-14-6-13-7-15(16)10-18(8-13,9-14)20-17(21)22-11-12-4-2-1-3-5-12;/h1-5,13-16H,6-11,19H2,(H,20,21);1H/t13?,14-,15?,16?,18?;/m0./s1
InChIKeyWUGWOYJMSTZTQT-DHHWQVGVSA-N
MW336.86 g/mol
LogP3.24
Rot. Bonds3

About benzyl N-[(3S)-4-amino-1-adamantyl]carbamate;hydrochloride

benzyl N-[(3S)-4-amino-1-adamantyl]carbamate;hydrochloride (PubChem CID 66863334) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is benzyl N-[(3S)-4-amino-1-adamantyl]carbamate;hydrochloride.

Molecular Properties

Compound Namebenzyl N-[(3S)-4-amino-1-adamantyl]carbamate;hydrochloride
PubChem CID66863334
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC Namebenzyl N-[(3S)-4-amino-1-adamantyl]carbamate;hydrochloride
SMILESCl.NC1C2CC3C[C@H]1CC(NC(=O)OCc1ccccc1)(C3)C2
InChIInChI=1S/C18H24N2O2.ClH/c19-16-14-6-13-7-15(16)10-18(8-13,9-14)20-17(21)22-11-12-4-2-1-3-5-12;/h1-5,13-16H,6-11,19H2,(H,20,21);1H/t13?,14-,15?,16?,18?;/m0./s1
InChIKeyWUGWOYJMSTZTQT-DHHWQVGVSA-N
XLogP3.24
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[(3R,5S)-3,5-difluoro-1-adamantyl]carbamate
CID 101010410
benzyl N-(3-amino-1-bicyclo[1.1.1]pentanyl)carbamate
CID 154728317
benzyl N-(4-amino-1-bicyclo[2.1.1]hexanyl)carbamate;hydrochloride
CID 54595568
benzyl N-[4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]carbamate;hydrochloride
CID 155387433
[3-(phenylmethoxycarbonylamino)-1-adamantyl] octanoate
CID 175497436
benzyl N-(4-carbamoyl-1-bicyclo[2.2.2]octanyl)carbamate
CID 23150697
2-(1-adamantylcarbamoyloxy)ethyl-phenylazanium
CID 7060496
benzyl N-(3-aminocyclobutyl)carbamate;hydrochloride
CID 122164408
benzyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-bicyclo[2.2.2]octanyl]carbamate
CID 135397622
3-benzyl-1-(phenylmethoxycarbonylamino)cyclobutane-1-carboxylic acid
CID 167738824
benzyl N-(1-carbamoyl-2-phenylcyclopropyl)carbamate
CID 143923916
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3S)-4-amino-1-adamantyl]carbamate;hydrochloride?
The IUPAC name of benzyl N-[(3S)-4-amino-1-adamantyl]carbamate;hydrochloride (CID 66863334) is benzyl N-[(3S)-4-amino-1-adamantyl]carbamate;hydrochloride.
What is the SMILES notation for benzyl N-[(3S)-4-amino-1-adamantyl]carbamate;hydrochloride?
The canonical SMILES for benzyl N-[(3S)-4-amino-1-adamantyl]carbamate;hydrochloride is Cl.NC1C2CC3C[C@H]1CC(NC(=O)OCc1ccccc1)(C3)C2.
What is the InChIKey of benzyl N-[(3S)-4-amino-1-adamantyl]carbamate;hydrochloride?
The InChIKey is WUGWOYJMSTZTQT-DHHWQVGVSA-N. The full InChI is InChI=1S/C18H24N2O2.ClH/c19-16-14-6-13-7-15(16)10-18(8-13,9-14)20-17(21)22-11-12-4-2-1-3-5-12;/h1-5,13-16H,6-11,19H2,(H,20,21);1H/t13?,14-,15?,16?,18?;/m0./s1.
What are the key properties of benzyl N-[(3S)-4-amino-1-adamantyl]carbamate;hydrochloride?
benzyl N-[(3S)-4-amino-1-adamantyl]carbamate;hydrochloride has a molecular weight of 336.86 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(3S)-4-amino-1-adamantyl]carbamate;hydrochloride is sourced from PubChem (CID 66863334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).