2-[(4-methoxyphenyl)methyl-propylamino]acetic acid

C13H19NO3 — CID 55026148

IUPAC2-[(4-methoxyphenyl)methyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)Cc1ccc(OC)cc1
InChIInChI=1S/C13H19NO3/c1-3-8-14(10-13(15)16)9-11-4-6-12(17-2)7-5-11/h4-7H,3,8-10H2,1-2H3,(H,15,16)
InChIKeyHPJMUUXPAQYMAX-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.99
Rot. Bonds7

About 2-[(4-methoxyphenyl)methyl-propylamino]acetic acid

2-[(4-methoxyphenyl)methyl-propylamino]acetic acid (PubChem CID 55026148) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl-propylamino]acetic acid
PubChem CID55026148
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-[(4-methoxyphenyl)methyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)Cc1ccc(OC)cc1
InChIInChI=1S/C13H19NO3/c1-3-8-14(10-13(15)16)9-11-4-6-12(17-2)7-5-11/h4-7H,3,8-10H2,1-2H3,(H,15,16)
InChIKeyHPJMUUXPAQYMAX-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-[(6-methoxynaphthalen-2-yl)methyl-propylamino]acetic acid
CID 65064840
2-[benzyl(propyl)amino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 78823618
2-[(4-methoxycarbonylphenyl)methyl-propylamino]acetic acid
CID 65064783
2-[[4-(2,2-difluoroethoxy)phenyl]methyl-propylamino]acetic acid
CID 122039917
2-[[4-(cyclopropylmethoxy)phenyl]methyl-propylamino]acetic acid
CID 122040142
4-[[(4-methoxyphenyl)methyl-propylamino]methyl]aniline
CID 43459594
2-[2-[bis(carboxymethyl)amino]ethyl-[[4-[[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]methyl]phenyl]methyl]amino]acetic acid
CID 163523536
N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 122609914
N-[2-[bis[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-N-propylpropanamide;propane
CID 168975874
N-butyl-N-[(4-methoxyphenyl)methyl]butan-1-amine
CID 6422491
2-[(4-methoxy-6-methyl-2-pyridinyl)methyl-propylamino]acetic acid
CID 82893491
N-(cyclopropylmethyl)-N-[(4-methoxyphenyl)methyl]propan-1-amine
CID 783025

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl-propylamino]acetic acid?
The IUPAC name of 2-[(4-methoxyphenyl)methyl-propylamino]acetic acid (CID 55026148) is 2-[(4-methoxyphenyl)methyl-propylamino]acetic acid.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl-propylamino]acetic acid?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl-propylamino]acetic acid is CCCN(CC(=O)O)Cc1ccc(OC)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl-propylamino]acetic acid?
The InChIKey is HPJMUUXPAQYMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-3-8-14(10-13(15)16)9-11-4-6-12(17-2)7-5-11/h4-7H,3,8-10H2,1-2H3,(H,15,16).
What are the key properties of 2-[(4-methoxyphenyl)methyl-propylamino]acetic acid?
2-[(4-methoxyphenyl)methyl-propylamino]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-[(4-methoxyphenyl)methyl-propylamino]acetic acid is sourced from PubChem (CID 55026148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).