2-methyl-2-[methyl(3-phenoxypropyl)amino]propanoic acid

C14H21NO3 — CID 62820736

IUPAC2-methyl-2-[methyl(3-phenoxypropyl)amino]propanoic acid
SMILESCN(CCCOc1ccccc1)C(C)(C)C(=O)O
InChIInChI=1S/C14H21NO3/c1-14(2,13(16)17)15(3)10-7-11-18-12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3,(H,16,17)
InChIKeyDMYURSCPFSQTCN-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.25
Rot. Bonds7

About 2-methyl-2-[methyl(3-phenoxypropyl)amino]propanoic acid

2-methyl-2-[methyl(3-phenoxypropyl)amino]propanoic acid (PubChem CID 62820736) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-methyl-2-[methyl(3-phenoxypropyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl(3-phenoxypropyl)amino]propanoic acid
PubChem CID62820736
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-methyl-2-[methyl(3-phenoxypropyl)amino]propanoic acid
SMILESCN(CCCOc1ccccc1)C(C)(C)C(=O)O
InChIInChI=1S/C14H21NO3/c1-14(2,13(16)17)15(3)10-7-11-18-12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3,(H,16,17)
InChIKeyDMYURSCPFSQTCN-UHFFFAOYSA-N
XLogP2.25
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-(3-phenoxypropyl)acetamide
CID 60757278
N-methyl-2-[(2-methylpropan-2-yl)oxy]-N-(3-phenoxypropyl)acetamide
CID 115949786
2-methyl-2-[methyl(2-phenylsulfanylethyl)amino]propanoic acid
CID 79228537
(2S)-2-amino-N,3,3-trimethyl-N-(3-phenoxypropyl)butanamide
CID 61162984
2-methyl-2-(4-phenoxybutylsulfanyl)propanoic acid
CID 82180704
2-[carboxymethyl(3-phenoxypropyl)amino]acetic acid
CID 63644970
2-methyl-2-(3-phenoxypropylsulfonyl)propanoic acid
CID 81229811
2,2,2-trifluoroethyl N-methyl-N-(3-phenoxypropyl)carbamate
CID 65168993
ethyl 3-[methyl(3-phenoxypropyl)amino]propanoate
CID 19816767
3-chloro-N-methyl-N-(3-phenoxypropyl)propanamide
CID 54874962
3-[methyl-[3-(4-phenoxyphenoxy)propyl]amino]propanoic acid
CID 11823669
3-amino-N-methyl-N-(3-phenoxypropyl)propanamide;hydrochloride
CID 119294025

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl(3-phenoxypropyl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl(3-phenoxypropyl)amino]propanoic acid (CID 62820736) is 2-methyl-2-[methyl(3-phenoxypropyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl(3-phenoxypropyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl(3-phenoxypropyl)amino]propanoic acid is CN(CCCOc1ccccc1)C(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[methyl(3-phenoxypropyl)amino]propanoic acid?
The InChIKey is DMYURSCPFSQTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-14(2,13(16)17)15(3)10-7-11-18-12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3,(H,16,17).
What are the key properties of 2-methyl-2-[methyl(3-phenoxypropyl)amino]propanoic acid?
2-methyl-2-[methyl(3-phenoxypropyl)amino]propanoic acid has a molecular weight of 251.33 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl(3-phenoxypropyl)amino]propanoic acid is sourced from PubChem (CID 62820736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).