2-[methyl-[(3-propoxyphenyl)methyl]amino]acetic acid

C13H19NO3 — CID 65056223

IUPAC2-[methyl-[(3-propoxyphenyl)methyl]amino]acetic acid
SMILESCCCOc1cccc(CN(C)CC(=O)O)c1
InChIInChI=1S/C13H19NO3/c1-3-7-17-12-6-4-5-11(8-12)9-14(2)10-13(15)16/h4-6,8H,3,7,9-10H2,1-2H3,(H,15,16)
InChIKeyRMLCRZXKAVLACD-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.99
Rot. Bonds7

About 2-[methyl-[(3-propoxyphenyl)methyl]amino]acetic acid

2-[methyl-[(3-propoxyphenyl)methyl]amino]acetic acid (PubChem CID 65056223) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[methyl-[(3-propoxyphenyl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[(3-propoxyphenyl)methyl]amino]acetic acid
PubChem CID65056223
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-[methyl-[(3-propoxyphenyl)methyl]amino]acetic acid
SMILESCCCOc1cccc(CN(C)CC(=O)O)c1
InChIInChI=1S/C13H19NO3/c1-3-7-17-12-6-4-5-11(8-12)9-14(2)10-13(15)16/h4-6,8H,3,7,9-10H2,1-2H3,(H,15,16)
InChIKeyRMLCRZXKAVLACD-UHFFFAOYSA-N
XLogP1.99
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-propoxyphenyl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263713
2-[cyclopropylmethyl-[(3-propoxyphenyl)methyl]amino]acetic acid
CID 65054742
2-[(3-ethoxyphenyl)methyl-methylamino]-1-phenylethanone
CID 71497144
2-oxo-3-(3-propoxyphenyl)propanoic acid
CID 62497459
N-benzyl-3-(3-ethoxyphenoxy)-N-methylpropan-1-amine
CID 2182253
1,1,3,3-tetramethyl-2-[(3-propoxyphenyl)methyl]guanidine
CID 111072853
2-[N-[(3-ethoxyphenyl)methyl]anilino]acetic acid
CID 39385265
2-[(3-fluorophenyl)methyl-methylamino]-N-methyl-N-(3-phenoxypropyl)acetamide
CID 78894500
2-[2-(3-bromophenoxy)ethyl-methylamino]acetic acid
CID 43442338
2-[ethyl-[1-[(3-propoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 122043103
2-[(3-ethoxyphenyl)methyl-(2-phenylethyl)amino]acetic acid
CID 39453886
3-[methyl-[2-(3-propoxyphenyl)ethylcarbamoyl]amino]propanoic acid
CID 122007167

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(3-propoxyphenyl)methyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[(3-propoxyphenyl)methyl]amino]acetic acid (CID 65056223) is 2-[methyl-[(3-propoxyphenyl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[(3-propoxyphenyl)methyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[(3-propoxyphenyl)methyl]amino]acetic acid is CCCOc1cccc(CN(C)CC(=O)O)c1.
What is the InChIKey of 2-[methyl-[(3-propoxyphenyl)methyl]amino]acetic acid?
The InChIKey is RMLCRZXKAVLACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-3-7-17-12-6-4-5-11(8-12)9-14(2)10-13(15)16/h4-6,8H,3,7,9-10H2,1-2H3,(H,15,16).
What are the key properties of 2-[methyl-[(3-propoxyphenyl)methyl]amino]acetic acid?
2-[methyl-[(3-propoxyphenyl)methyl]amino]acetic acid has a molecular weight of 237.30 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(3-propoxyphenyl)methyl]amino]acetic acid is sourced from PubChem (CID 65056223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).