2-[(4-tert-butylphenyl)methylamino]propanoic acid

C14H21NO2 — CID 43467143

IUPAC2-[(4-tert-butylphenyl)methylamino]propanoic acid
SMILESCC(NCc1ccc(C(C)(C)C)cc1)C(=O)O
InChIInChI=1S/C14H21NO2/c1-10(13(16)17)15-9-11-5-7-12(8-6-11)14(2,3)4/h5-8,10,15H,9H2,1-4H3,(H,16,17)
InChIKeyYFLOUVNQXPVIAM-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.55
Rot. Bonds4

About 2-[(4-tert-butylphenyl)methylamino]propanoic acid

2-[(4-tert-butylphenyl)methylamino]propanoic acid (PubChem CID 43467143) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[(4-tert-butylphenyl)methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(4-tert-butylphenyl)methylamino]propanoic acid
PubChem CID43467143
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[(4-tert-butylphenyl)methylamino]propanoic acid
SMILESCC(NCc1ccc(C(C)(C)C)cc1)C(=O)O
InChIInChI=1S/C14H21NO2/c1-10(13(16)17)15-9-11-5-7-12(8-6-11)14(2,3)4/h5-8,10,15H,9H2,1-4H3,(H,16,17)
InChIKeyYFLOUVNQXPVIAM-UHFFFAOYSA-N
XLogP2.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-tert-butylphenyl)methylamino]-N-propan-2-ylpropanamide
CID 115750730
2-(benzylamino)-1-(4-tert-butylphenyl)propan-1-one
CID 82100631
(2S)-2-[(4-tert-butylphenyl)methylamino]-3-methylbutan-1-ol
CID 79253395
2-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methylamino]propanoic acid
CID 107244230
2-[(4-methylsulfanylphenyl)methylamino]propanoic acid
CID 43467247
ethane;2-[(4-methoxyphenyl)methylamino]propanoic acid
CID 91562631
(2S)-2-[[4-(trifluoromethoxy)phenyl]methylamino]propanoic acid
CID 83194888
2-[(4-ethoxyphenyl)methylamino]propanoic acid
CID 43466880
2-[(3,4-dimethylphenyl)methylamino]propanoic acid
CID 61499358
methyl (2S)-2-[(4-tert-butylphenyl)methylamino]-3-methylbutanoate
CID 43386442
(2S)-2-[(3,4-difluorophenyl)methylamino]propanoic acid
CID 83195012
4-[[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]methyl]benzamide
CID 18124565

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylphenyl)methylamino]propanoic acid?
The IUPAC name of 2-[(4-tert-butylphenyl)methylamino]propanoic acid (CID 43467143) is 2-[(4-tert-butylphenyl)methylamino]propanoic acid.
What is the SMILES notation for 2-[(4-tert-butylphenyl)methylamino]propanoic acid?
The canonical SMILES for 2-[(4-tert-butylphenyl)methylamino]propanoic acid is CC(NCc1ccc(C(C)(C)C)cc1)C(=O)O.
What is the InChIKey of 2-[(4-tert-butylphenyl)methylamino]propanoic acid?
The InChIKey is YFLOUVNQXPVIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10(13(16)17)15-9-11-5-7-12(8-6-11)14(2,3)4/h5-8,10,15H,9H2,1-4H3,(H,16,17).
What are the key properties of 2-[(4-tert-butylphenyl)methylamino]propanoic acid?
2-[(4-tert-butylphenyl)methylamino]propanoic acid has a molecular weight of 235.33 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylphenyl)methylamino]propanoic acid is sourced from PubChem (CID 43467143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).