benzyl N-[(2R)-1,5-diamino-1-oxopentan-2-yl]-N-[(4-hydroxyphenyl)methyl]carbamate

C20H25N3O4 — CID 67793119

IUPACbenzyl N-[(2R)-1,5-diamino-1-oxopentan-2-yl]-N-[(4-hydroxyphenyl)methyl]carbamate
SMILESNCCC[C@H](C(N)=O)N(Cc1ccc(O)cc1)C(=O)OCc1ccccc1
InChIInChI=1S/C20H25N3O4/c21-12-4-7-18(19(22)25)23(13-15-8-10-17(24)11-9-15)20(26)27-14-16-5-2-1-3-6-16/h1-3,5-6,8-11,18,24H,4,7,12-14,21H2,(H2,22,25)/t18-/m1/s1
InChIKeyUDBMNLGSOXQLHN-GOSISDBHSA-N
MW371.44 g/mol
LogP2.12
Rot. Bonds9

About benzyl N-[(2R)-1,5-diamino-1-oxopentan-2-yl]-N-[(4-hydroxyphenyl)methyl]carbamate

benzyl N-[(2R)-1,5-diamino-1-oxopentan-2-yl]-N-[(4-hydroxyphenyl)methyl]carbamate (PubChem CID 67793119) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is benzyl N-[(2R)-1,5-diamino-1-oxopentan-2-yl]-N-[(4-hydroxyphenyl)methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2R)-1,5-diamino-1-oxopentan-2-yl]-N-[(4-hydroxyphenyl)methyl]carbamate
PubChem CID67793119
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Namebenzyl N-[(2R)-1,5-diamino-1-oxopentan-2-yl]-N-[(4-hydroxyphenyl)methyl]carbamate
SMILESNCCC[C@H](C(N)=O)N(Cc1ccc(O)cc1)C(=O)OCc1ccccc1
InChIInChI=1S/C20H25N3O4/c21-12-4-7-18(19(22)25)23(13-15-8-10-17(24)11-9-15)20(26)27-14-16-5-2-1-3-6-16/h1-3,5-6,8-11,18,24H,4,7,12-14,21H2,(H2,22,25)/t18-/m1/s1
InChIKeyUDBMNLGSOXQLHN-GOSISDBHSA-N
XLogP2.12
TPSA118.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze benzyl N-[(2R)-1,5-diamino-1-oxopentan-2-yl]-N-[(4-hydroxyphenyl)methyl]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

(2R)-5-amino-2-[(2,2-diphenylacetyl)-[(4-hydroxyphenyl)methyl]amino]pentanamide
CID 54167269
(2R)-6-amino-2-[(2,2-diphenylacetyl)-[(4-hydroxyphenyl)methyl]amino]hexanamide
CID 57028880
2-[benzyl(phenylmethoxycarbonyl)amino]pentanedioic acid
CID 14887414
[(2S)-6-amino-1-[(2S)-6-amino-2-[carboxy(phenylmethoxycarbonyl)amino]hexanoyl]oxy-1-oxohexan-2-yl]-phenylmethoxycarbonylcarbamic acid
CID 142727531
benzyl N-[(2S)-1-amino-1-oxo-4-[6-[4-(phenylmethoxycarbonylamino)butyl]naphthalen-2-yl]butan-2-yl]-N-(3-aminopropyl)carbamate
CID 90223888
(2R)-6-amino-2-[methyl(phenylmethoxycarbonyl)amino]hexanoic acid
CID 162974941
2-[(2-fluoro-4-hydroxyphenyl)methyl-phenylmethoxycarbonylamino]-3-phenylpropanoic acid
CID 174403193
benzyl N-[(4R)-5-amino-4-[[4-(2-amino-2-oxoethyl)phenyl]methyl-(naphthalene-2-carbonyl)amino]-5-oxopentyl]carbamate
CID 54051974
(2S)-2-[[5-amino-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 23652148
benzyl N-[(4R)-5-amino-4-[2-(4-hydroxyphenyl)ethylamino]-5-oxopentyl]carbamate;hydrochloride
CID 70268668
benzyl N-benzyl-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]carbamate
CID 10883306
benzyl N-[(2S)-1,6-diamino-1-oxohexan-2-yl]carbamate
CID 7020264

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2R)-1,5-diamino-1-oxopentan-2-yl]-N-[(4-hydroxyphenyl)methyl]carbamate?
The IUPAC name of benzyl N-[(2R)-1,5-diamino-1-oxopentan-2-yl]-N-[(4-hydroxyphenyl)methyl]carbamate (CID 67793119) is benzyl N-[(2R)-1,5-diamino-1-oxopentan-2-yl]-N-[(4-hydroxyphenyl)methyl]carbamate.
What is the SMILES notation for benzyl N-[(2R)-1,5-diamino-1-oxopentan-2-yl]-N-[(4-hydroxyphenyl)methyl]carbamate?
The canonical SMILES for benzyl N-[(2R)-1,5-diamino-1-oxopentan-2-yl]-N-[(4-hydroxyphenyl)methyl]carbamate is NCCC[C@H](C(N)=O)N(Cc1ccc(O)cc1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2R)-1,5-diamino-1-oxopentan-2-yl]-N-[(4-hydroxyphenyl)methyl]carbamate?
The InChIKey is UDBMNLGSOXQLHN-GOSISDBHSA-N. The full InChI is InChI=1S/C20H25N3O4/c21-12-4-7-18(19(22)25)23(13-15-8-10-17(24)11-9-15)20(26)27-14-16-5-2-1-3-6-16/h1-3,5-6,8-11,18,24H,4,7,12-14,21H2,(H2,22,25)/t18-/m1/s1.
What are the key properties of benzyl N-[(2R)-1,5-diamino-1-oxopentan-2-yl]-N-[(4-hydroxyphenyl)methyl]carbamate?
benzyl N-[(2R)-1,5-diamino-1-oxopentan-2-yl]-N-[(4-hydroxyphenyl)methyl]carbamate has a molecular weight of 371.44 g/mol, XLogP of 2.12, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2R)-1,5-diamino-1-oxopentan-2-yl]-N-[(4-hydroxyphenyl)methyl]carbamate is sourced from PubChem (CID 67793119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).