tert-butyl N-[5-(2-aminoacetyl)-2,3-dimethylphenyl]carbamate

C15H22N2O3 — CID 117115554

IUPACtert-butyl N-[5-(2-aminoacetyl)-2,3-dimethylphenyl]carbamate
SMILESCc1cc(C(=O)CN)cc(NC(=O)OC(C)(C)C)c1C
InChIInChI=1S/C15H22N2O3/c1-9-6-11(13(18)8-16)7-12(10(9)2)17-14(19)20-15(3,4)5/h6-7H,8,16H2,1-5H3,(H,17,19)
InChIKeyLPHUZNFIHLXTRO-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.79
Rot. Bonds3

About tert-butyl N-[5-(2-aminoacetyl)-2,3-dimethylphenyl]carbamate

tert-butyl N-[5-(2-aminoacetyl)-2,3-dimethylphenyl]carbamate (PubChem CID 117115554) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is tert-butyl N-[5-(2-aminoacetyl)-2,3-dimethylphenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(2-aminoacetyl)-2,3-dimethylphenyl]carbamate
PubChem CID117115554
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nametert-butyl N-[5-(2-aminoacetyl)-2,3-dimethylphenyl]carbamate
SMILESCc1cc(C(=O)CN)cc(NC(=O)OC(C)(C)C)c1C
InChIInChI=1S/C15H22N2O3/c1-9-6-11(13(18)8-16)7-12(10(9)2)17-14(19)20-15(3,4)5/h6-7H,8,16H2,1-5H3,(H,17,19)
InChIKeyLPHUZNFIHLXTRO-UHFFFAOYSA-N
XLogP2.79
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(5-acetyl-2,3-dimethylphenyl)carbamate
CID 117112095
tert-butyl N-[5-(hydroxymethyl)-2,3-dimethylphenyl]carbamate
CID 117115769
tert-butyl N-[5-(1-aminoethyl)-2,3-dimethylphenyl]carbamate
CID 117110963
tert-butyl N-(4-hydroxy-2,3,5-trimethylphenyl)carbamate
CID 22048539
tert-butyl N-[5-[(1-hydroxycyclopropyl)methyl]-2,3-dimethylphenyl]carbamate
CID 117117530
tert-butyl N-(2,5-dimethylphenyl)carbamate
CID 4935481
tert-butyl N-(5-amino-2-methylphenyl)carbamate
CID 10799065
tert-butyl N-(4-hydroxy-2,5-dimethylphenyl)carbamate
CID 10609921
tert-butyl N-(5-amino-3-chloro-2-methylphenyl)carbamate
CID 172602283
ethyl 6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
CID 58563500
tert-butyl N-(2-iodo-5-methylphenyl)carbamate
CID 121003345
tert-butyl N-[2-(hydroxymethyl)-3-methylphenyl]carbamate
CID 14368463

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(2-aminoacetyl)-2,3-dimethylphenyl]carbamate?
The IUPAC name of tert-butyl N-[5-(2-aminoacetyl)-2,3-dimethylphenyl]carbamate (CID 117115554) is tert-butyl N-[5-(2-aminoacetyl)-2,3-dimethylphenyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(2-aminoacetyl)-2,3-dimethylphenyl]carbamate?
The canonical SMILES for tert-butyl N-[5-(2-aminoacetyl)-2,3-dimethylphenyl]carbamate is Cc1cc(C(=O)CN)cc(NC(=O)OC(C)(C)C)c1C.
What is the InChIKey of tert-butyl N-[5-(2-aminoacetyl)-2,3-dimethylphenyl]carbamate?
The InChIKey is LPHUZNFIHLXTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-9-6-11(13(18)8-16)7-12(10(9)2)17-14(19)20-15(3,4)5/h6-7H,8,16H2,1-5H3,(H,17,19).
What are the key properties of tert-butyl N-[5-(2-aminoacetyl)-2,3-dimethylphenyl]carbamate?
tert-butyl N-[5-(2-aminoacetyl)-2,3-dimethylphenyl]carbamate has a molecular weight of 278.35 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(2-aminoacetyl)-2,3-dimethylphenyl]carbamate is sourced from PubChem (CID 117115554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).