3-amino-2-(2-methoxynaphthalen-1-yl)propanoic acid

C14H15NO3 — CID 117364728

IUPAC3-amino-2-(2-methoxynaphthalen-1-yl)propanoic acid
SMILESCOc1ccc2ccccc2c1C(CN)C(=O)O
InChIInChI=1S/C14H15NO3/c1-18-12-7-6-9-4-2-3-5-10(9)13(12)11(8-15)14(16)17/h2-7,11H,8,15H2,1H3,(H,16,17)
InChIKeyWKQIIQPNDFDLCS-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.98
Rot. Bonds4

About 3-amino-2-(2-methoxynaphthalen-1-yl)propanoic acid

3-amino-2-(2-methoxynaphthalen-1-yl)propanoic acid (PubChem CID 117364728) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-amino-2-(2-methoxynaphthalen-1-yl)propanoic acid.

Molecular Properties

Compound Name3-amino-2-(2-methoxynaphthalen-1-yl)propanoic acid
PubChem CID117364728
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name3-amino-2-(2-methoxynaphthalen-1-yl)propanoic acid
SMILESCOc1ccc2ccccc2c1C(CN)C(=O)O
InChIInChI=1S/C14H15NO3/c1-18-12-7-6-9-4-2-3-5-10(9)13(12)11(8-15)14(16)17/h2-7,11H,8,15H2,1H3,(H,16,17)
InChIKeyWKQIIQPNDFDLCS-UHFFFAOYSA-N
XLogP1.98
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetyloxy-2-(2-methoxynaphthalen-1-yl)propanoic acid
CID 70817184
3-amino-3-(2-methoxynaphthalen-1-yl)propanoic acid
CID 16642007
methyl 2-chloro-2-(2-methoxynaphthalen-1-yl)acetate
CID 62224921
2-(2-methoxynaphthalen-1-yl)-2-(propan-2-ylamino)acetic acid
CID 43754305
1-(2-methoxynaphthalen-1-yl)-N,N-dimethylethane-1,2-diamine
CID 43380372
methyl (3S)-3-amino-3-(2-methoxynaphthalen-1-yl)propanoate
CID 61150374
2-(2-methoxyethylamino)-2-(2-methoxynaphthalen-1-yl)acetic acid
CID 62541221
(1S)-1-(2-methoxynaphthalen-1-yl)propane-1,3-diamine;hydrochloride
CID 171232538
1-(2-methoxynaphthalen-1-yl)-N-methyl-N-propan-2-ylethane-1,2-diamine
CID 43380370
1-(2-methoxynaphthalen-1-yl)-N-propan-2-ylethane-1,2-diamine
CID 62069963
(3R)-3-acetamido-3-(2-methoxynaphthalen-1-yl)propanoic acid
CID 63649897
3-acetamido-3-(2-methoxynaphthalen-1-yl)propanoic acid
CID 63650219

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-methoxynaphthalen-1-yl)propanoic acid?
The IUPAC name of 3-amino-2-(2-methoxynaphthalen-1-yl)propanoic acid (CID 117364728) is 3-amino-2-(2-methoxynaphthalen-1-yl)propanoic acid.
What is the SMILES notation for 3-amino-2-(2-methoxynaphthalen-1-yl)propanoic acid?
The canonical SMILES for 3-amino-2-(2-methoxynaphthalen-1-yl)propanoic acid is COc1ccc2ccccc2c1C(CN)C(=O)O.
What is the InChIKey of 3-amino-2-(2-methoxynaphthalen-1-yl)propanoic acid?
The InChIKey is WKQIIQPNDFDLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-18-12-7-6-9-4-2-3-5-10(9)13(12)11(8-15)14(16)17/h2-7,11H,8,15H2,1H3,(H,16,17).
What are the key properties of 3-amino-2-(2-methoxynaphthalen-1-yl)propanoic acid?
3-amino-2-(2-methoxynaphthalen-1-yl)propanoic acid has a molecular weight of 245.28 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-methoxynaphthalen-1-yl)propanoic acid is sourced from PubChem (CID 117364728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).