2-[(6-methoxynaphthalen-2-yl)methyl-propylamino]acetic acid

C17H21NO3 — CID 65064840

IUPAC2-[(6-methoxynaphthalen-2-yl)methyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)Cc1ccc2cc(OC)ccc2c1
InChIInChI=1S/C17H21NO3/c1-3-8-18(12-17(19)20)11-13-4-5-15-10-16(21-2)7-6-14(15)9-13/h4-7,9-10H,3,8,11-12H2,1-2H3,(H,19,20)
InChIKeyMSWJBQRHTACHHO-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.14
Rot. Bonds7

About 2-[(6-methoxynaphthalen-2-yl)methyl-propylamino]acetic acid

2-[(6-methoxynaphthalen-2-yl)methyl-propylamino]acetic acid (PubChem CID 65064840) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[(6-methoxynaphthalen-2-yl)methyl-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(6-methoxynaphthalen-2-yl)methyl-propylamino]acetic acid
PubChem CID65064840
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name2-[(6-methoxynaphthalen-2-yl)methyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)Cc1ccc2cc(OC)ccc2c1
InChIInChI=1S/C17H21NO3/c1-3-8-18(12-17(19)20)11-13-4-5-15-10-16(21-2)7-6-14(15)9-13/h4-7,9-10H,3,8,11-12H2,1-2H3,(H,19,20)
InChIKeyMSWJBQRHTACHHO-UHFFFAOYSA-N
XLogP3.14
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methoxyphenyl)methyl-propylamino]acetic acid
CID 55026148
2-[benzyl(propyl)amino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 78823618
2-[(4-methoxycarbonylphenyl)methyl-propylamino]acetic acid
CID 65064783
2-[propyl(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)amino]acetic acid
CID 122040027
2-[2-naphthalen-2-yloxyethyl(propyl)amino]acetic acid
CID 61007729
ethane;1-(6-methoxynaphthalen-2-yl)-N,N-dimethylmethanamine
CID 142950158
2-[(3-bromo-4-methylphenyl)methyl-propylamino]acetic acid
CID 105403617
2-[(3-fluoro-4-methylphenyl)methyl-propylamino]acetic acid
CID 65064590
2-[(4-methoxy-6-methyl-2-pyridinyl)methyl-propylamino]acetic acid
CID 82893491
2-[[4-(2,2-difluoroethoxy)phenyl]methyl-propylamino]acetic acid
CID 122039917
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]butanoic acid
CID 65068401
1-hydroxy-1-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 19780510

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxynaphthalen-2-yl)methyl-propylamino]acetic acid?
The IUPAC name of 2-[(6-methoxynaphthalen-2-yl)methyl-propylamino]acetic acid (CID 65064840) is 2-[(6-methoxynaphthalen-2-yl)methyl-propylamino]acetic acid.
What is the SMILES notation for 2-[(6-methoxynaphthalen-2-yl)methyl-propylamino]acetic acid?
The canonical SMILES for 2-[(6-methoxynaphthalen-2-yl)methyl-propylamino]acetic acid is CCCN(CC(=O)O)Cc1ccc2cc(OC)ccc2c1.
What is the InChIKey of 2-[(6-methoxynaphthalen-2-yl)methyl-propylamino]acetic acid?
The InChIKey is MSWJBQRHTACHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-3-8-18(12-17(19)20)11-13-4-5-15-10-16(21-2)7-6-14(15)9-13/h4-7,9-10H,3,8,11-12H2,1-2H3,(H,19,20).
What are the key properties of 2-[(6-methoxynaphthalen-2-yl)methyl-propylamino]acetic acid?
2-[(6-methoxynaphthalen-2-yl)methyl-propylamino]acetic acid has a molecular weight of 287.36 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxynaphthalen-2-yl)methyl-propylamino]acetic acid is sourced from PubChem (CID 65064840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).