tert-butyl N-(2-amino-5-pyrrolidin-1-ylphenyl)carbamate

C15H23N3O2 — CID 146281522

IUPACtert-butyl N-(2-amino-5-pyrrolidin-1-ylphenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(N2CCCC2)ccc1N
InChIInChI=1S/C15H23N3O2/c1-15(2,3)20-14(19)17-13-10-11(6-7-12(13)16)18-8-4-5-9-18/h6-7,10H,4-5,8-9,16H2,1-3H3,(H,17,19)
InChIKeySOSBRINMWWSXDR-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.22
Rot. Bonds2

About tert-butyl N-(2-amino-5-pyrrolidin-1-ylphenyl)carbamate

tert-butyl N-(2-amino-5-pyrrolidin-1-ylphenyl)carbamate (PubChem CID 146281522) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is tert-butyl N-(2-amino-5-pyrrolidin-1-ylphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-amino-5-pyrrolidin-1-ylphenyl)carbamate
PubChem CID146281522
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Nametert-butyl N-(2-amino-5-pyrrolidin-1-ylphenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(N2CCCC2)ccc1N
InChIInChI=1S/C15H23N3O2/c1-15(2,3)20-14(19)17-13-10-11(6-7-12(13)16)18-8-4-5-9-18/h6-7,10H,4-5,8-9,16H2,1-3H3,(H,17,19)
InChIKeySOSBRINMWWSXDR-UHFFFAOYSA-N
XLogP3.22
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-amino-5-(4-piperidin-1-ylpiperidin-1-yl)phenyl]carbamate
CID 146281625
tert-butyl N-[2-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]carbamate
CID 175110264
tert-butyl N-[5-(4-tert-butylpiperazin-1-yl)-2-methylphenyl]carbamate
CID 66692224
4-[4-chloro-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]piperazine-1-carboxylic acid
CID 174687269
tert-butyl N-(2-amino-5-cyanophenyl)carbamate
CID 18545768
tert-butyl 4-(3,4-diaminophenyl)-1,4-diazepane-1-carboxylate
CID 22272464
tert-butyl N-[2-amino-5-(1-ethylpiperidin-4-yl)phenyl]carbamate
CID 140655626
[5-(4-acetylpiperazin-1-yl)-2-aminophenyl]carbamic acid
CID 90426627
tert-butyl N-[[1-(4-amino-3-hydroxyphenyl)piperidin-4-yl]methyl]carbamate
CID 164687599
tert-butyl N-[2-amino-5-(2,2,2-trifluoroethoxy)phenyl]carbamate
CID 69487918
2-amino-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid
CID 36995546
tert-butyl N-(4-bromo-2,6-difluorophenyl)carbamate;tert-butyl N-(2,6-difluoro-4-pyrrolidin-1-ylphenyl)carbamate
CID 165000167

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-amino-5-pyrrolidin-1-ylphenyl)carbamate?
The IUPAC name of tert-butyl N-(2-amino-5-pyrrolidin-1-ylphenyl)carbamate (CID 146281522) is tert-butyl N-(2-amino-5-pyrrolidin-1-ylphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-amino-5-pyrrolidin-1-ylphenyl)carbamate?
The canonical SMILES for tert-butyl N-(2-amino-5-pyrrolidin-1-ylphenyl)carbamate is CC(C)(C)OC(=O)Nc1cc(N2CCCC2)ccc1N.
What is the InChIKey of tert-butyl N-(2-amino-5-pyrrolidin-1-ylphenyl)carbamate?
The InChIKey is SOSBRINMWWSXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-15(2,3)20-14(19)17-13-10-11(6-7-12(13)16)18-8-4-5-9-18/h6-7,10H,4-5,8-9,16H2,1-3H3,(H,17,19).
What are the key properties of tert-butyl N-(2-amino-5-pyrrolidin-1-ylphenyl)carbamate?
tert-butyl N-(2-amino-5-pyrrolidin-1-ylphenyl)carbamate has a molecular weight of 277.37 g/mol, XLogP of 3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-amino-5-pyrrolidin-1-ylphenyl)carbamate is sourced from PubChem (CID 146281522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).