2-(2-methoxyethylamino)-2-(2-methoxynaphthalen-1-yl)acetic acid

C16H19NO4 — CID 62541221

IUPAC2-(2-methoxyethylamino)-2-(2-methoxynaphthalen-1-yl)acetic acid
SMILESCOCCNC(C(=O)O)c1c(OC)ccc2ccccc12
InChIInChI=1S/C16H19NO4/c1-20-10-9-17-15(16(18)19)14-12-6-4-3-5-11(12)7-8-13(14)21-2/h3-8,15,17H,9-10H2,1-2H3,(H,18,19)
InChIKeyHOOKOZQZTVNIDI-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.21
Rot. Bonds7

About 2-(2-methoxyethylamino)-2-(2-methoxynaphthalen-1-yl)acetic acid

2-(2-methoxyethylamino)-2-(2-methoxynaphthalen-1-yl)acetic acid (PubChem CID 62541221) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-2-(2-methoxynaphthalen-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-2-(2-methoxynaphthalen-1-yl)acetic acid
PubChem CID62541221
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name2-(2-methoxyethylamino)-2-(2-methoxynaphthalen-1-yl)acetic acid
SMILESCOCCNC(C(=O)O)c1c(OC)ccc2ccccc12
InChIInChI=1S/C16H19NO4/c1-20-10-9-17-15(16(18)19)14-12-6-4-3-5-11(12)7-8-13(14)21-2/h3-8,15,17H,9-10H2,1-2H3,(H,18,19)
InChIKeyHOOKOZQZTVNIDI-UHFFFAOYSA-N
XLogP2.21
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxynaphthalen-1-yl)-2-(prop-2-enylamino)acetic acid
CID 62354053
2-(2-methoxynaphthalen-1-yl)-2-(propan-2-ylamino)acetic acid
CID 43754305
2-(2-chloro-6-methoxyphenyl)-2-(2-methoxyethylamino)acetic acid
CID 104816578
3-amino-2-(2-methoxynaphthalen-1-yl)propanoic acid
CID 117364728
2-(2-methoxyphenyl)-2-(3-methoxypropylamino)acetic acid
CID 84745991
methyl 2-chloro-2-(2-methoxynaphthalen-1-yl)acetate
CID 62224921
(2R)-2-(2-bromophenyl)-2-(2-methoxyethylamino)acetic acid
CID 94479863
3-amino-3-(2-methoxynaphthalen-1-yl)propanoic acid
CID 16642007
(3R)-3-acetamido-3-(2-methoxynaphthalen-1-yl)propanoic acid
CID 63649897
3-acetamido-3-(2-methoxynaphthalen-1-yl)propanoic acid
CID 63650219
3-acetyloxy-2-(2-methoxynaphthalen-1-yl)propanoic acid
CID 70817184
methyl (3S)-3-amino-3-(2-methoxynaphthalen-1-yl)propanoate
CID 61150374

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-2-(2-methoxynaphthalen-1-yl)acetic acid?
The IUPAC name of 2-(2-methoxyethylamino)-2-(2-methoxynaphthalen-1-yl)acetic acid (CID 62541221) is 2-(2-methoxyethylamino)-2-(2-methoxynaphthalen-1-yl)acetic acid.
What is the SMILES notation for 2-(2-methoxyethylamino)-2-(2-methoxynaphthalen-1-yl)acetic acid?
The canonical SMILES for 2-(2-methoxyethylamino)-2-(2-methoxynaphthalen-1-yl)acetic acid is COCCNC(C(=O)O)c1c(OC)ccc2ccccc12.
What is the InChIKey of 2-(2-methoxyethylamino)-2-(2-methoxynaphthalen-1-yl)acetic acid?
The InChIKey is HOOKOZQZTVNIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-20-10-9-17-15(16(18)19)14-12-6-4-3-5-11(12)7-8-13(14)21-2/h3-8,15,17H,9-10H2,1-2H3,(H,18,19).
What are the key properties of 2-(2-methoxyethylamino)-2-(2-methoxynaphthalen-1-yl)acetic acid?
2-(2-methoxyethylamino)-2-(2-methoxynaphthalen-1-yl)acetic acid has a molecular weight of 289.33 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-2-(2-methoxynaphthalen-1-yl)acetic acid is sourced from PubChem (CID 62541221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).