benzyl N-(2-amino-3-phenylpropanoyl)-N-tert-butylcarbamate

C21H26N2O3 — CID 121493861

IUPACbenzyl N-(2-amino-3-phenylpropanoyl)-N-tert-butylcarbamate
SMILESCC(C)(C)N(C(=O)OCc1ccccc1)C(=O)C(N)Cc1ccccc1
InChIInChI=1S/C21H26N2O3/c1-21(2,3)23(20(25)26-15-17-12-8-5-9-13-17)19(24)18(22)14-16-10-6-4-7-11-16/h4-13,18H,14-15,22H2,1-3H3
InChIKeyBWURFRISDKVXML-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.52
Rot. Bonds5

About benzyl N-(2-amino-3-phenylpropanoyl)-N-tert-butylcarbamate

benzyl N-(2-amino-3-phenylpropanoyl)-N-tert-butylcarbamate (PubChem CID 121493861) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is benzyl N-(2-amino-3-phenylpropanoyl)-N-tert-butylcarbamate.

Molecular Properties

Compound Namebenzyl N-(2-amino-3-phenylpropanoyl)-N-tert-butylcarbamate
PubChem CID121493861
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Namebenzyl N-(2-amino-3-phenylpropanoyl)-N-tert-butylcarbamate
SMILESCC(C)(C)N(C(=O)OCc1ccccc1)C(=O)C(N)Cc1ccccc1
InChIInChI=1S/C21H26N2O3/c1-21(2,3)23(20(25)26-15-17-12-8-5-9-13-17)19(24)18(22)14-16-10-6-4-7-11-16/h4-13,18H,14-15,22H2,1-3H3
InChIKeyBWURFRISDKVXML-UHFFFAOYSA-N
XLogP3.52
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2S)-2-amino-3-phenylpropanoyl]-phenylmethoxycarbonylamino]acetic acid
CID 70053043
tert-butyl N-amino-N-[(2S)-2-amino-3-phenylpropanoyl]carbamate
CID 135391413
tert-butyl N-amino-N-[(2R)-2-amino-3-phenylpropanoyl]carbamate
CID 154179314
4-amino-2-methyl-3-oxo-5-phenyl-2-(N-phenylmethoxycarbonylanilino)pentanoic acid
CID 173433101
2-[(2-amino-3-phenylpropanoyl)-phenylmethoxycarbonylamino]-4-methylpentanoic acid
CID 70369106
benzyl N-acetyl-N-aminocarbamate
CID 67604274
3-[(2-amino-3-phenylpropanoyl)-tert-butylamino]propanoic acid
CID 61161087
(2R)-2-amino-N-(3,3-dimethylbutan-2-yl)-N-methyl-3-phenylpropanamide
CID 78985588
2-amino-N-(2-hydroxy-2-methylpropyl)-N-methyl-3-phenylpropanamide
CID 79379287
benzyl N-[(2S)-2-amino-3-phenylpropanoyl]-N-[(2S)-4-diazo-3-oxobutan-2-yl]carbamate
CID 90704407
benzyl (3S)-3-amino-2-oxo-4-phenylbutanoate
CID 22822919
benzyl N,N-dimethylcarbamate
CID 12963450

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-amino-3-phenylpropanoyl)-N-tert-butylcarbamate?
The IUPAC name of benzyl N-(2-amino-3-phenylpropanoyl)-N-tert-butylcarbamate (CID 121493861) is benzyl N-(2-amino-3-phenylpropanoyl)-N-tert-butylcarbamate.
What is the SMILES notation for benzyl N-(2-amino-3-phenylpropanoyl)-N-tert-butylcarbamate?
The canonical SMILES for benzyl N-(2-amino-3-phenylpropanoyl)-N-tert-butylcarbamate is CC(C)(C)N(C(=O)OCc1ccccc1)C(=O)C(N)Cc1ccccc1.
What is the InChIKey of benzyl N-(2-amino-3-phenylpropanoyl)-N-tert-butylcarbamate?
The InChIKey is BWURFRISDKVXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-21(2,3)23(20(25)26-15-17-12-8-5-9-13-17)19(24)18(22)14-16-10-6-4-7-11-16/h4-13,18H,14-15,22H2,1-3H3.
What are the key properties of benzyl N-(2-amino-3-phenylpropanoyl)-N-tert-butylcarbamate?
benzyl N-(2-amino-3-phenylpropanoyl)-N-tert-butylcarbamate has a molecular weight of 354.45 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-amino-3-phenylpropanoyl)-N-tert-butylcarbamate is sourced from PubChem (CID 121493861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).