3-[methyl(oxolan-2-ylmethyl)amino]-3-phenylpropanoic acid

C15H21NO3 — CID 63073130

IUPAC3-[methyl(oxolan-2-ylmethyl)amino]-3-phenylpropanoic acid
SMILESCN(CC1CCCO1)C(CC(=O)O)c1ccccc1
InChIInChI=1S/C15H21NO3/c1-16(11-13-8-5-9-19-13)14(10-15(17)18)12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-11H2,1H3,(H,17,18)
InChIKeyMEAPZQKASKTZDH-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.31
Rot. Bonds6

About 3-[methyl(oxolan-2-ylmethyl)amino]-3-phenylpropanoic acid

3-[methyl(oxolan-2-ylmethyl)amino]-3-phenylpropanoic acid (PubChem CID 63073130) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[methyl(oxolan-2-ylmethyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-[methyl(oxolan-2-ylmethyl)amino]-3-phenylpropanoic acid
PubChem CID63073130
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name3-[methyl(oxolan-2-ylmethyl)amino]-3-phenylpropanoic acid
SMILESCN(CC1CCCO1)C(CC(=O)O)c1ccccc1
InChIInChI=1S/C15H21NO3/c1-16(11-13-8-5-9-19-13)14(10-15(17)18)12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-11H2,1H3,(H,17,18)
InChIKeyMEAPZQKASKTZDH-UHFFFAOYSA-N
XLogP2.31
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(oxolan-2-ylmethyl)amino]-1-phenylbutan-1-one
CID 61432396
2-amino-N-methyl-N-(oxolan-2-ylmethyl)-2-phenylacetamide
CID 61436409
2-N,3-dimethyl-2-N-(oxolan-2-ylmethyl)-1-phenylbutane-1,2-diamine
CID 61431053
N,N-dimethyl-N'-(oxolan-2-ylmethyl)-1-phenylethane-1,2-diamine
CID 78914378
2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-2-phenylacetamide
CID 61435349
3-[methyl(oxolan-2-ylmethyl)amino]-2-phenylpropanehydrazide
CID 64566065
2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]-1-phenylpropan-1-one
CID 62613157
3-amino-N-methyl-N-(oxan-2-ylmethyl)-2-phenylpropanamide
CID 62876627
2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]butanoic acid
CID 79407488
(3R)-N-[[4-(dimethylamino)phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
CID 9153527
3-amino-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)-3-phenylpropanamide;hydrochloride
CID 119750532
1-(4-ethoxyphenyl)-N-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61431322

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(oxolan-2-ylmethyl)amino]-3-phenylpropanoic acid?
The IUPAC name of 3-[methyl(oxolan-2-ylmethyl)amino]-3-phenylpropanoic acid (CID 63073130) is 3-[methyl(oxolan-2-ylmethyl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for 3-[methyl(oxolan-2-ylmethyl)amino]-3-phenylpropanoic acid?
The canonical SMILES for 3-[methyl(oxolan-2-ylmethyl)amino]-3-phenylpropanoic acid is CN(CC1CCCO1)C(CC(=O)O)c1ccccc1.
What is the InChIKey of 3-[methyl(oxolan-2-ylmethyl)amino]-3-phenylpropanoic acid?
The InChIKey is MEAPZQKASKTZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-16(11-13-8-5-9-19-13)14(10-15(17)18)12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-11H2,1H3,(H,17,18).
What are the key properties of 3-[methyl(oxolan-2-ylmethyl)amino]-3-phenylpropanoic acid?
3-[methyl(oxolan-2-ylmethyl)amino]-3-phenylpropanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(oxolan-2-ylmethyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 63073130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).