tert-butyl N-[1-amino-3-(3-methoxyphenyl)propan-2-yl]carbamate

C15H24N2O3 — CID 84730445

IUPACtert-butyl N-[1-amino-3-(3-methoxyphenyl)propan-2-yl]carbamate
SMILESCOc1cccc(CC(CN)NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C15H24N2O3/c1-15(2,3)20-14(18)17-12(10-16)8-11-6-5-7-13(9-11)19-4/h5-7,9,12H,8,10,16H2,1-4H3,(H,17,18)
InChIKeyLYEUVGOETYWRHI-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.09
Rot. Bonds5

About tert-butyl N-[1-amino-3-(3-methoxyphenyl)propan-2-yl]carbamate

tert-butyl N-[1-amino-3-(3-methoxyphenyl)propan-2-yl]carbamate (PubChem CID 84730445) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is tert-butyl N-[1-amino-3-(3-methoxyphenyl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-amino-3-(3-methoxyphenyl)propan-2-yl]carbamate
PubChem CID84730445
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Nametert-butyl N-[1-amino-3-(3-methoxyphenyl)propan-2-yl]carbamate
SMILESCOc1cccc(CC(CN)NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C15H24N2O3/c1-15(2,3)20-14(18)17-12(10-16)8-11-6-5-7-13(9-11)19-4/h5-7,9,12H,8,10,16H2,1-4H3,(H,17,18)
InChIKeyLYEUVGOETYWRHI-UHFFFAOYSA-N
XLogP2.09
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(3R)-3-hydroxy-4-(3-methoxyphenyl)butyl]carbamate
CID 129406598
tert-butyl N-[1-amino-3-(4-methylphenyl)propan-2-yl]carbamate
CID 84729717
tert-butyl N-[(1R)-1-(butylamino)-2-(3-methoxyphenyl)ethyl]carbamate
CID 155138107
(2S)-2-[(3-methoxyphenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 25417738
ethyl 3-(3-methoxyphenyl)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoate
CID 66582630
tert-butyl N-[(2R)-1-[(3-methoxyphenyl)methoxy]propan-2-yl]carbamate
CID 71077122
4-(3,5-dimethoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 137332843
4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(3-propan-2-yloxyphenyl)pentanoic acid
CID 113236070
1-(3-methoxyphenyl)propan-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 145115605
tert-butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate;sulfane
CID 159653133
methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-phenylmethoxyphenyl)propanoate
CID 101162727
(3S)-4-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 14410547

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-amino-3-(3-methoxyphenyl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-amino-3-(3-methoxyphenyl)propan-2-yl]carbamate (CID 84730445) is tert-butyl N-[1-amino-3-(3-methoxyphenyl)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-amino-3-(3-methoxyphenyl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-amino-3-(3-methoxyphenyl)propan-2-yl]carbamate is COc1cccc(CC(CN)NC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[1-amino-3-(3-methoxyphenyl)propan-2-yl]carbamate?
The InChIKey is LYEUVGOETYWRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-15(2,3)20-14(18)17-12(10-16)8-11-6-5-7-13(9-11)19-4/h5-7,9,12H,8,10,16H2,1-4H3,(H,17,18).
What are the key properties of tert-butyl N-[1-amino-3-(3-methoxyphenyl)propan-2-yl]carbamate?
tert-butyl N-[1-amino-3-(3-methoxyphenyl)propan-2-yl]carbamate has a molecular weight of 280.37 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-amino-3-(3-methoxyphenyl)propan-2-yl]carbamate is sourced from PubChem (CID 84730445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).