tert-butyl 2-[[4-(2-methylbutan-2-yl)phenyl]methylamino]propanoate

C19H31NO2 — CID 71192096

IUPACtert-butyl 2-[[4-(2-methylbutan-2-yl)phenyl]methylamino]propanoate
SMILESCCC(C)(C)c1ccc(CNC(C)C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C19H31NO2/c1-8-19(6,7)16-11-9-15(10-12-16)13-20-14(2)17(21)22-18(3,4)5/h9-12,14,20H,8,13H2,1-7H3
InChIKeyMUYPUHOJSYQCKT-UHFFFAOYSA-N
MW305.46 g/mol
LogP4.19
Rot. Bonds6

About tert-butyl 2-[[4-(2-methylbutan-2-yl)phenyl]methylamino]propanoate

tert-butyl 2-[[4-(2-methylbutan-2-yl)phenyl]methylamino]propanoate (PubChem CID 71192096) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is tert-butyl 2-[[4-(2-methylbutan-2-yl)phenyl]methylamino]propanoate.

Molecular Properties

Compound Nametert-butyl 2-[[4-(2-methylbutan-2-yl)phenyl]methylamino]propanoate
PubChem CID71192096
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Nametert-butyl 2-[[4-(2-methylbutan-2-yl)phenyl]methylamino]propanoate
SMILESCCC(C)(C)c1ccc(CNC(C)C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C19H31NO2/c1-8-19(6,7)16-11-9-15(10-12-16)13-20-14(2)17(21)22-18(3,4)5/h9-12,14,20H,8,13H2,1-7H3
InChIKeyMUYPUHOJSYQCKT-UHFFFAOYSA-N
XLogP4.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-[(4-ethylphenyl)methylamino]propanoate
CID 70950358
tert-butyl 2-[(6-methyl-3-pyridinyl)methylamino]propanoate
CID 64687344
tert-butyl 2-(furan-3-ylmethylamino)propanoate
CID 115626166
tert-butyl (2S)-2-[[(2S)-2-(benzylamino)propanoyl]amino]propanoate
CID 175893228
methyl 2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methylamino]propanoate
CID 107239586
tert-butyl (2R)-2-(furan-2-ylmethylamino)propanoate
CID 103773961
2-[(4-tert-butylphenyl)methylamino]propanoic acid
CID 43467143
2-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methylamino]propanoic acid
CID 107244230
tert-butyl (2S,3S)-2-[[4-(methoxymethyl)phenyl]methylamino]-3-methylpentanoate
CID 75449922
tert-butyl N-[2-[[4-(trifluoromethyl)phenyl]methylamino]propyl]carbamate
CID 103389858
2-[(4-tert-butylphenyl)methylamino]-N-propan-2-ylpropanamide
CID 115750730
ethyl 2-[(4-propylphenyl)methylamino]propanoate
CID 83307592

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[4-(2-methylbutan-2-yl)phenyl]methylamino]propanoate?
The IUPAC name of tert-butyl 2-[[4-(2-methylbutan-2-yl)phenyl]methylamino]propanoate (CID 71192096) is tert-butyl 2-[[4-(2-methylbutan-2-yl)phenyl]methylamino]propanoate.
What is the SMILES notation for tert-butyl 2-[[4-(2-methylbutan-2-yl)phenyl]methylamino]propanoate?
The canonical SMILES for tert-butyl 2-[[4-(2-methylbutan-2-yl)phenyl]methylamino]propanoate is CCC(C)(C)c1ccc(CNC(C)C(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl 2-[[4-(2-methylbutan-2-yl)phenyl]methylamino]propanoate?
The InChIKey is MUYPUHOJSYQCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-8-19(6,7)16-11-9-15(10-12-16)13-20-14(2)17(21)22-18(3,4)5/h9-12,14,20H,8,13H2,1-7H3.
What are the key properties of tert-butyl 2-[[4-(2-methylbutan-2-yl)phenyl]methylamino]propanoate?
tert-butyl 2-[[4-(2-methylbutan-2-yl)phenyl]methylamino]propanoate has a molecular weight of 305.46 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[4-(2-methylbutan-2-yl)phenyl]methylamino]propanoate is sourced from PubChem (CID 71192096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).