2-[methyl(1-phenylpropyl)amino]butanoic acid

C14H21NO2 — CID 65067637

IUPAC2-[methyl(1-phenylpropyl)amino]butanoic acid
SMILESCCC(C(=O)O)N(C)C(CC)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-4-12(11-9-7-6-8-10-11)15(3)13(5-2)14(16)17/h6-10,12-13H,4-5H2,1-3H3,(H,16,17)
InChIKeyWKSUKVRFLIYCAW-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.93
Rot. Bonds6

About 2-[methyl(1-phenylpropyl)amino]butanoic acid

2-[methyl(1-phenylpropyl)amino]butanoic acid (PubChem CID 65067637) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[methyl(1-phenylpropyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[methyl(1-phenylpropyl)amino]butanoic acid
PubChem CID65067637
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[methyl(1-phenylpropyl)amino]butanoic acid
SMILESCCC(C(=O)O)N(C)C(CC)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-4-12(11-9-7-6-8-10-11)15(3)13(5-2)14(16)17/h6-10,12-13H,4-5H2,1-3H3,(H,16,17)
InChIKeyWKSUKVRFLIYCAW-UHFFFAOYSA-N
XLogP2.93
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-1-phenylpropan-1-amine;ethane
CID 144553481
2-[methyl-[1-(4-methylsulfanylphenyl)ethyl]amino]butanoic acid
CID 65067889
2-[1-(2-bromophenyl)ethyl-methylamino]butanoic acid
CID 65067636
2-[methyl(propan-2-yl)amino]butanoic acid
CID 43808956
2-[1-[3-(difluoromethoxy)phenyl]ethyl-methylamino]butanoic acid
CID 65067890
(2R)-3-ethyl-2-phenylpentanoic acid
CID 124511908
(2R)-2-(dibenzylamino)butanoic acid
CID 141083038
methyl N-ethyl-N-[(1R)-1-phenylpropyl]carbamate
CID 143937695
2-(N,2-dimethylanilino)butanoic acid
CID 133150219
N,N-bis(1-phenylpropyl)formamide
CID 88549986
3-[methyl(propan-2-yl)amino]-3-phenylpropanoic acid
CID 63068759
3-[1-phenylpropyl(propyl)amino]propanoic acid
CID 119135012

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(1-phenylpropyl)amino]butanoic acid?
The IUPAC name of 2-[methyl(1-phenylpropyl)amino]butanoic acid (CID 65067637) is 2-[methyl(1-phenylpropyl)amino]butanoic acid.
What is the SMILES notation for 2-[methyl(1-phenylpropyl)amino]butanoic acid?
The canonical SMILES for 2-[methyl(1-phenylpropyl)amino]butanoic acid is CCC(C(=O)O)N(C)C(CC)c1ccccc1.
What is the InChIKey of 2-[methyl(1-phenylpropyl)amino]butanoic acid?
The InChIKey is WKSUKVRFLIYCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-12(11-9-7-6-8-10-11)15(3)13(5-2)14(16)17/h6-10,12-13H,4-5H2,1-3H3,(H,16,17).
What are the key properties of 2-[methyl(1-phenylpropyl)amino]butanoic acid?
2-[methyl(1-phenylpropyl)amino]butanoic acid has a molecular weight of 235.33 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(1-phenylpropyl)amino]butanoic acid is sourced from PubChem (CID 65067637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).