tert-butyl N-[(2R)-1-amino-4-(dimethylamino)-1-oxo-2-(phenylmethoxymethyl)butan-2-yl]carbamate

C19H31N3O4 — CID 91116838

IUPACtert-butyl N-[(2R)-1-amino-4-(dimethylamino)-1-oxo-2-(phenylmethoxymethyl)butan-2-yl]carbamate
SMILESCN(C)CC[C@](COCc1ccccc1)(NC(=O)OC(C)(C)C)C(N)=O
InChIInChI=1S/C19H31N3O4/c1-18(2,3)26-17(24)21-19(16(20)23,11-12-22(4)5)14-25-13-15-9-7-6-8-10-15/h6-10H,11-14H2,1-5H3,(H2,20,23)(H,21,24)/t19-/m1/s1
InChIKeyZGOCKTPXCOLKHE-LJQANCHMSA-N
MW365.47 g/mol
LogP1.90
Rot. Bonds9

About tert-butyl N-[(2R)-1-amino-4-(dimethylamino)-1-oxo-2-(phenylmethoxymethyl)butan-2-yl]carbamate

tert-butyl N-[(2R)-1-amino-4-(dimethylamino)-1-oxo-2-(phenylmethoxymethyl)butan-2-yl]carbamate (PubChem CID 91116838) has the molecular formula C19H31N3O4 and a molecular weight of 365.47 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-amino-4-(dimethylamino)-1-oxo-2-(phenylmethoxymethyl)butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-amino-4-(dimethylamino)-1-oxo-2-(phenylmethoxymethyl)butan-2-yl]carbamate
PubChem CID91116838
Molecular FormulaC19H31N3O4
Molecular Weight365.47 g/mol
Exact Mass365.23
IUPAC Nametert-butyl N-[(2R)-1-amino-4-(dimethylamino)-1-oxo-2-(phenylmethoxymethyl)butan-2-yl]carbamate
SMILESCN(C)CC[C@](COCc1ccccc1)(NC(=O)OC(C)(C)C)C(N)=O
InChIInChI=1S/C19H31N3O4/c1-18(2,3)26-17(24)21-19(16(20)23,11-12-22(4)5)14-25-13-15-9-7-6-8-10-15/h6-10H,11-14H2,1-5H3,(H2,20,23)(H,21,24)/t19-/m1/s1
InChIKeyZGOCKTPXCOLKHE-LJQANCHMSA-N
XLogP1.90
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(2R)-1-amino-4-(dimethylamino)-1-oxo-2-(phenylmethoxymethyl)butan-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl 2-ethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 19011458
tert-butyl N-(3-carbamoyl-1-phenylhept-6-en-3-yl)carbamate
CID 57169156
benzyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoate
CID 13384474
benzyl (2S)-2-[[3-(methoxymethoxy)-2-(methoxymethoxymethyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate
CID 10950990
benzyl 2,2-bis[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
CID 86648876
benzyl (2R)-3-hydroxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 11833827
tert-butyl N-[3-amino-2-[methyl(2-phenylmethoxyethyl)amino]propyl]carbamate
CID 131008134
tert-butyl N-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 140765220
2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxo-2-(phenylmethoxymethyl)propanoic acid
CID 22557178
tert-butyl N-(1-phenyl-3-phenylmethoxypropan-2-yl)carbamate
CID 23245831
methyl 2-(aminomethyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
CID 59448709
tert-butyl N-[(1R)-1-phenyl-2-phenylmethoxyethyl]carbamate
CID 134926215

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-amino-4-(dimethylamino)-1-oxo-2-(phenylmethoxymethyl)butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-amino-4-(dimethylamino)-1-oxo-2-(phenylmethoxymethyl)butan-2-yl]carbamate (CID 91116838) is tert-butyl N-[(2R)-1-amino-4-(dimethylamino)-1-oxo-2-(phenylmethoxymethyl)butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-amino-4-(dimethylamino)-1-oxo-2-(phenylmethoxymethyl)butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-amino-4-(dimethylamino)-1-oxo-2-(phenylmethoxymethyl)butan-2-yl]carbamate is CN(C)CC[C@](COCc1ccccc1)(NC(=O)OC(C)(C)C)C(N)=O.
What is the InChIKey of tert-butyl N-[(2R)-1-amino-4-(dimethylamino)-1-oxo-2-(phenylmethoxymethyl)butan-2-yl]carbamate?
The InChIKey is ZGOCKTPXCOLKHE-LJQANCHMSA-N. The full InChI is InChI=1S/C19H31N3O4/c1-18(2,3)26-17(24)21-19(16(20)23,11-12-22(4)5)14-25-13-15-9-7-6-8-10-15/h6-10H,11-14H2,1-5H3,(H2,20,23)(H,21,24)/t19-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-amino-4-(dimethylamino)-1-oxo-2-(phenylmethoxymethyl)butan-2-yl]carbamate?
tert-butyl N-[(2R)-1-amino-4-(dimethylamino)-1-oxo-2-(phenylmethoxymethyl)butan-2-yl]carbamate has a molecular weight of 365.47 g/mol, XLogP of 1.90, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-amino-4-(dimethylamino)-1-oxo-2-(phenylmethoxymethyl)butan-2-yl]carbamate is sourced from PubChem (CID 91116838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).