benzyl N-[2-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxobutyl]-N-methylcarbamate

C18H27N3O5 — CID 67663770

IUPACbenzyl N-[2-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxobutyl]-N-methylcarbamate
SMILESCN(CC(N)C(=O)CNC(=O)OC(C)(C)C)C(=O)OCc1ccccc1
InChIInChI=1S/C18H27N3O5/c1-18(2,3)26-16(23)20-10-15(22)14(19)11-21(4)17(24)25-12-13-8-6-5-7-9-13/h5-9,14H,10-12,19H2,1-4H3,(H,20,23)
InChIKeyHBENPZRNMKCKNS-UHFFFAOYSA-N
MW365.43 g/mol
LogP1.68
Rot. Bonds7

About benzyl N-[2-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxobutyl]-N-methylcarbamate

benzyl N-[2-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxobutyl]-N-methylcarbamate (PubChem CID 67663770) has the molecular formula C18H27N3O5 and a molecular weight of 365.43 g/mol. Its IUPAC name is benzyl N-[2-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxobutyl]-N-methylcarbamate.

Molecular Properties

Compound Namebenzyl N-[2-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxobutyl]-N-methylcarbamate
PubChem CID67663770
Molecular FormulaC18H27N3O5
Molecular Weight365.43 g/mol
Exact Mass365.20
IUPAC Namebenzyl N-[2-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxobutyl]-N-methylcarbamate
SMILESCN(CC(N)C(=O)CNC(=O)OC(C)(C)C)C(=O)OCc1ccccc1
InChIInChI=1S/C18H27N3O5/c1-18(2,3)26-16(23)20-10-15(22)14(19)11-21(4)17(24)25-12-13-8-6-5-7-9-13/h5-9,14H,10-12,19H2,1-4H3,(H,20,23)
InChIKeyHBENPZRNMKCKNS-UHFFFAOYSA-N
XLogP1.68
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl (2S)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;hydrochloride
CID 122173606
benzyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-[2-(phenylmethoxycarbonylamino)ethyl]carbamate
CID 90156380
methyl (2R)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-phenylmethoxycarbonylamino]-4-phenylbutanoate
CID 171550580
benzyl N-(3-aminopropyl)-N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 11326021
tert-butyl N-[2-oxo-2-[[2-oxo-2-(phenylmethoxyamino)ethyl]amino]ethyl]carbamate
CID 10382434
methyl (2R)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-phenylmethoxycarbonylamino]butanoate
CID 59322115
benzyl 2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 70245619
benzyl N-[2-[[2,2-dimethyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]-3-oxopropanoyl]-methylamino]ethyl]-N-methylcarbamate
CID 59256369
benzyl N-methyl-N-[2-[2-[[2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]acetyl]amino]ethylamino]-2-oxoethyl]carbamate
CID 131719971
benzyl N-(2,2-dimethylpropyl)-N-methylcarbamate
CID 110669345
[4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]oxymethyl]phenyl]methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 11004906
2-phenylethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 11851409

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxobutyl]-N-methylcarbamate?
The IUPAC name of benzyl N-[2-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxobutyl]-N-methylcarbamate (CID 67663770) is benzyl N-[2-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxobutyl]-N-methylcarbamate.
What is the SMILES notation for benzyl N-[2-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxobutyl]-N-methylcarbamate?
The canonical SMILES for benzyl N-[2-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxobutyl]-N-methylcarbamate is CN(CC(N)C(=O)CNC(=O)OC(C)(C)C)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxobutyl]-N-methylcarbamate?
The InChIKey is HBENPZRNMKCKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O5/c1-18(2,3)26-16(23)20-10-15(22)14(19)11-21(4)17(24)25-12-13-8-6-5-7-9-13/h5-9,14H,10-12,19H2,1-4H3,(H,20,23).
What are the key properties of benzyl N-[2-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxobutyl]-N-methylcarbamate?
benzyl N-[2-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxobutyl]-N-methylcarbamate has a molecular weight of 365.43 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxobutyl]-N-methylcarbamate is sourced from PubChem (CID 67663770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).