benzyl N-[(2R)-3-amino-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate

C15H21N3O4 — CID 59324457

IUPACbenzyl N-[(2R)-3-amino-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate
SMILESNC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCOCC1
InChIInChI=1S/C15H21N3O4/c16-10-13(14(19)18-6-8-21-9-7-18)17-15(20)22-11-12-4-2-1-3-5-12/h1-5,13H,6-11,16H2,(H,17,20)/t13-/m1/s1
InChIKeyNZLWCUKIMKPRJL-CYBMUJFWSA-N
MW307.35 g/mol
LogP0.10
Rot. Bonds5

About benzyl N-[(2R)-3-amino-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate

benzyl N-[(2R)-3-amino-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate (PubChem CID 59324457) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is benzyl N-[(2R)-3-amino-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2R)-3-amino-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate
PubChem CID59324457
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Namebenzyl N-[(2R)-3-amino-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate
SMILESNC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCOCC1
InChIInChI=1S/C15H21N3O4/c16-10-13(14(19)18-6-8-21-9-7-18)17-15(20)22-11-12-4-2-1-3-5-12/h1-5,13H,6-11,16H2,(H,17,20)/t13-/m1/s1
InChIKeyNZLWCUKIMKPRJL-CYBMUJFWSA-N
XLogP0.10
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[(2S)-1-oxo-1-[16-[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propan-2-yl]carbamate
CID 13291357
benzyl N-(3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)carbamate
CID 51149564
4-oxo-3-(phenylmethoxycarbonylamino)-4-pyrrolidin-1-ylbutanoic acid
CID 156690866
(3S)-4-oxo-3-(phenylmethoxycarbonylamino)-4-piperidin-1-ylbutanoic acid
CID 70003305
benzyl N-[1-(4-carbonochloridoylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 20716036
1,3-thiazol-5-ylmethyl N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]carbamate
CID 66832556
benzyl N-(1,3-diamino-1-oxopropan-2-yl)carbamate
CID 130155607
benzyl (2R,4S)-2,4-dimethyl-5-oxo-5-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)pentanoate
CID 92846824
benzyl N-morpholin-4-ylcarbamate
CID 54530052
benzyl N-[(2S)-4-morpholin-4-yl-4-oxo-1-phenylsulfanylbutan-2-yl]carbamate
CID 124645577
tert-butyl (2S)-4-morpholin-4-yl-2-(phenylmethoxycarbonylamino)butanoate
CID 10595823
N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]acetamide
CID 110347212

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2R)-3-amino-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2R)-3-amino-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate (CID 59324457) is benzyl N-[(2R)-3-amino-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2R)-3-amino-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2R)-3-amino-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate is NC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCOCC1.
What is the InChIKey of benzyl N-[(2R)-3-amino-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate?
The InChIKey is NZLWCUKIMKPRJL-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21N3O4/c16-10-13(14(19)18-6-8-21-9-7-18)17-15(20)22-11-12-4-2-1-3-5-12/h1-5,13H,6-11,16H2,(H,17,20)/t13-/m1/s1.
What are the key properties of benzyl N-[(2R)-3-amino-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate?
benzyl N-[(2R)-3-amino-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate has a molecular weight of 307.35 g/mol, XLogP of 0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2R)-3-amino-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 59324457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).