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

C17H19NO3 — CID 61001340

IUPAC2-(cyclopropylmethylamino)-2-(6-methoxynaphthalen-2-yl)acetic acid
SMILESCOc1ccc2cc(C(NCC3CC3)C(=O)O)ccc2c1
InChIInChI=1S/C17H19NO3/c1-21-15-7-6-12-8-14(5-4-13(12)9-15)16(17(19)20)18-10-11-2-3-11/h4-9,11,16,18H,2-3,10H2,1H3,(H,19,20)
InChIKeySULGFBRIOGNZHA-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.97
Rot. Bonds6

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

2-(cyclopropylmethylamino)-2-(6-methoxynaphthalen-2-yl)acetic acid (PubChem CID 61001340) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-2-(6-methoxynaphthalen-2-yl)acetic acid.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-2-(6-methoxynaphthalen-2-yl)acetic acid
PubChem CID61001340
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name2-(cyclopropylmethylamino)-2-(6-methoxynaphthalen-2-yl)acetic acid
SMILESCOc1ccc2cc(C(NCC3CC3)C(=O)O)ccc2c1
InChIInChI=1S/C17H19NO3/c1-21-15-7-6-12-8-14(5-4-13(12)9-15)16(17(19)20)18-10-11-2-3-11/h4-9,11,16,18H,2-3,10H2,1H3,(H,19,20)
InChIKeySULGFBRIOGNZHA-UHFFFAOYSA-N
XLogP2.97
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-2-(6-methoxynaphthalen-2-yl)acetic acid
CID 43754550
2-(cyclopropylmethylamino)-2-(3-hydroxy-4-methoxyphenyl)acetic acid
CID 54894829
2-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)acetic acid
CID 54894927
2-(cyclopropylmethylamino)-2-naphthalen-2-ylacetamide
CID 60995245
2-(4-tert-butylphenyl)-2-(cyclopropylmethylamino)acetic acid
CID 54894831
2-(cyclopropylmethylamino)-2-(4-fluorophenyl)acetic acid
CID 61002227
[4-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxymethyl]cyclohexyl]methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 164936733
1-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-3-(piperidin-4-ylmethyl)urea
CID 126441251
2-(cyclopropylmethylamino)-2-(3,5-ditert-butyl-4-hydroxyphenyl)acetic acid
CID 19363178
2-(6-methoxynaphthalen-2-yl)-2-(propylamino)acetamide
CID 60795776
1-(6-methoxynaphthalen-2-yl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107166080
1-(6-methoxynaphthalen-2-yl)-1-(methylamino)propan-2-one
CID 116955950

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-2-(6-methoxynaphthalen-2-yl)acetic acid?
The IUPAC name of 2-(cyclopropylmethylamino)-2-(6-methoxynaphthalen-2-yl)acetic acid (CID 61001340) is 2-(cyclopropylmethylamino)-2-(6-methoxynaphthalen-2-yl)acetic acid.
What is the SMILES notation for 2-(cyclopropylmethylamino)-2-(6-methoxynaphthalen-2-yl)acetic acid?
The canonical SMILES for 2-(cyclopropylmethylamino)-2-(6-methoxynaphthalen-2-yl)acetic acid is COc1ccc2cc(C(NCC3CC3)C(=O)O)ccc2c1.
What is the InChIKey of 2-(cyclopropylmethylamino)-2-(6-methoxynaphthalen-2-yl)acetic acid?
The InChIKey is SULGFBRIOGNZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-21-15-7-6-12-8-14(5-4-13(12)9-15)16(17(19)20)18-10-11-2-3-11/h4-9,11,16,18H,2-3,10H2,1H3,(H,19,20).
What are the key properties of 2-(cyclopropylmethylamino)-2-(6-methoxynaphthalen-2-yl)acetic acid?
2-(cyclopropylmethylamino)-2-(6-methoxynaphthalen-2-yl)acetic acid has a molecular weight of 285.34 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-2-(6-methoxynaphthalen-2-yl)acetic acid is sourced from PubChem (CID 61001340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).