2-(2-methoxynaphthalen-1-yl)-2-(prop-2-enylamino)acetic acid

C16H17NO3 — CID 62354053

IUPAC2-(2-methoxynaphthalen-1-yl)-2-(prop-2-enylamino)acetic acid
SMILESC=CCNC(C(=O)O)c1c(OC)ccc2ccccc12
InChIInChI=1S/C16H17NO3/c1-3-10-17-15(16(18)19)14-12-7-5-4-6-11(12)8-9-13(14)20-2/h3-9,15,17H,1,10H2,2H3,(H,18,19)
InChIKeyBRGBTNOYRKOGII-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.75
Rot. Bonds6

About 2-(2-methoxynaphthalen-1-yl)-2-(prop-2-enylamino)acetic acid

2-(2-methoxynaphthalen-1-yl)-2-(prop-2-enylamino)acetic acid (PubChem CID 62354053) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(2-methoxynaphthalen-1-yl)-2-(prop-2-enylamino)acetic acid.

Molecular Properties

Compound Name2-(2-methoxynaphthalen-1-yl)-2-(prop-2-enylamino)acetic acid
PubChem CID62354053
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-(2-methoxynaphthalen-1-yl)-2-(prop-2-enylamino)acetic acid
SMILESC=CCNC(C(=O)O)c1c(OC)ccc2ccccc12
InChIInChI=1S/C16H17NO3/c1-3-10-17-15(16(18)19)14-12-7-5-4-6-11(12)8-9-13(14)20-2/h3-9,15,17H,1,10H2,2H3,(H,18,19)
InChIKeyBRGBTNOYRKOGII-UHFFFAOYSA-N
XLogP2.75
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethylamino)-2-(2-methoxynaphthalen-1-yl)acetic acid
CID 62541221
2-(2-methoxynaphthalen-1-yl)-2-(propan-2-ylamino)acetic acid
CID 43754305
3-amino-2-(2-methoxynaphthalen-1-yl)propanoic acid
CID 117364728
methyl 2-chloro-2-(2-methoxynaphthalen-1-yl)acetate
CID 62224921
2-[3-(2-methoxynaphthalen-1-yl)propanoylamino]propanedioic acid
CID 67611600
methyl 2-phenyl-2-(prop-2-enylamino)acetate
CID 21300031
3-amino-3-(2-methoxynaphthalen-1-yl)propanoic acid
CID 16642007
3-acetamido-3-(2-methoxynaphthalen-1-yl)propanoic acid
CID 63650219
(3R)-3-acetamido-3-(2-methoxynaphthalen-1-yl)propanoic acid
CID 63649897
3-acetyloxy-2-(2-methoxynaphthalen-1-yl)propanoic acid
CID 70817184
methyl (3S)-3-amino-3-(2-methoxynaphthalen-1-yl)propanoate
CID 61150374
2-(2-hydroxyphenyl)-2-(prop-2-enylamino)acetic acid
CID 116684987

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxynaphthalen-1-yl)-2-(prop-2-enylamino)acetic acid?
The IUPAC name of 2-(2-methoxynaphthalen-1-yl)-2-(prop-2-enylamino)acetic acid (CID 62354053) is 2-(2-methoxynaphthalen-1-yl)-2-(prop-2-enylamino)acetic acid.
What is the SMILES notation for 2-(2-methoxynaphthalen-1-yl)-2-(prop-2-enylamino)acetic acid?
The canonical SMILES for 2-(2-methoxynaphthalen-1-yl)-2-(prop-2-enylamino)acetic acid is C=CCNC(C(=O)O)c1c(OC)ccc2ccccc12.
What is the InChIKey of 2-(2-methoxynaphthalen-1-yl)-2-(prop-2-enylamino)acetic acid?
The InChIKey is BRGBTNOYRKOGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-3-10-17-15(16(18)19)14-12-7-5-4-6-11(12)8-9-13(14)20-2/h3-9,15,17H,1,10H2,2H3,(H,18,19).
What are the key properties of 2-(2-methoxynaphthalen-1-yl)-2-(prop-2-enylamino)acetic acid?
2-(2-methoxynaphthalen-1-yl)-2-(prop-2-enylamino)acetic acid has a molecular weight of 271.32 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxynaphthalen-1-yl)-2-(prop-2-enylamino)acetic acid is sourced from PubChem (CID 62354053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).