2-(cyclopropylamino)-2-(6-methoxynaphthalen-2-yl)acetic acid

C16H17NO3 — CID 43754550

IUPAC2-(cyclopropylamino)-2-(6-methoxynaphthalen-2-yl)acetic acid
SMILESCOc1ccc2cc(C(NC3CC3)C(=O)O)ccc2c1
InChIInChI=1S/C16H17NO3/c1-20-14-7-4-10-8-12(3-2-11(10)9-14)15(16(18)19)17-13-5-6-13/h2-4,7-9,13,15,17H,5-6H2,1H3,(H,18,19)
InChIKeyIEYVZSIJDUEMNZ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.73
Rot. Bonds5

About 2-(cyclopropylamino)-2-(6-methoxynaphthalen-2-yl)acetic acid

2-(cyclopropylamino)-2-(6-methoxynaphthalen-2-yl)acetic acid (PubChem CID 43754550) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-(6-methoxynaphthalen-2-yl)acetic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-(6-methoxynaphthalen-2-yl)acetic acid
PubChem CID43754550
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-(cyclopropylamino)-2-(6-methoxynaphthalen-2-yl)acetic acid
SMILESCOc1ccc2cc(C(NC3CC3)C(=O)O)ccc2c1
InChIInChI=1S/C16H17NO3/c1-20-14-7-4-10-8-12(3-2-11(10)9-14)15(16(18)19)17-13-5-6-13/h2-4,7-9,13,15,17H,5-6H2,1H3,(H,18,19)
InChIKeyIEYVZSIJDUEMNZ-UHFFFAOYSA-N
XLogP2.73
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclohexylamino)-2-(4-methoxyphenyl)acetic acid
CID 54892880
2-(cyclopropylamino)-2-(6-methylnaphthalen-2-yl)acetic acid
CID 116857198
2-(cyclopropylmethylamino)-2-(6-methoxynaphthalen-2-yl)acetic acid
CID 61001340
2-(cyclohexylamino)-2-(3-methoxyphenyl)acetic acid
CID 54892787
(2S)-N-(4-methoxycyclohexyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 163313623
1-(6-methoxynaphthalen-2-yl)-1-(methylamino)propan-2-one
CID 116955950
bis((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid);piperazine
CID 76968825
2-(cycloheptylamino)-2-(3-fluoro-4-methoxyphenyl)acetic acid
CID 65096305
2-(cyclopropylamino)-2-(2-methoxy-4-propan-2-ylphenyl)acetic acid
CID 112513593
potassium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174215246
(2R)-2-(7-methoxynaphthalen-2-yl)propanoic acid
CID 93477602
sodium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 173070735

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-(6-methoxynaphthalen-2-yl)acetic acid?
The IUPAC name of 2-(cyclopropylamino)-2-(6-methoxynaphthalen-2-yl)acetic acid (CID 43754550) is 2-(cyclopropylamino)-2-(6-methoxynaphthalen-2-yl)acetic acid.
What is the SMILES notation for 2-(cyclopropylamino)-2-(6-methoxynaphthalen-2-yl)acetic acid?
The canonical SMILES for 2-(cyclopropylamino)-2-(6-methoxynaphthalen-2-yl)acetic acid is COc1ccc2cc(C(NC3CC3)C(=O)O)ccc2c1.
What is the InChIKey of 2-(cyclopropylamino)-2-(6-methoxynaphthalen-2-yl)acetic acid?
The InChIKey is IEYVZSIJDUEMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-20-14-7-4-10-8-12(3-2-11(10)9-14)15(16(18)19)17-13-5-6-13/h2-4,7-9,13,15,17H,5-6H2,1H3,(H,18,19).
What are the key properties of 2-(cyclopropylamino)-2-(6-methoxynaphthalen-2-yl)acetic acid?
2-(cyclopropylamino)-2-(6-methoxynaphthalen-2-yl)acetic acid has a molecular weight of 271.32 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-(6-methoxynaphthalen-2-yl)acetic acid is sourced from PubChem (CID 43754550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).