2-naphthalen-2-yl-2-(propylamino)acetic acid

C15H17NO2 — CID 43754123

IUPAC2-naphthalen-2-yl-2-(propylamino)acetic acid
SMILESCCCNC(C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C15H17NO2/c1-2-9-16-14(15(17)18)13-8-7-11-5-3-4-6-12(11)10-13/h3-8,10,14,16H,2,9H2,1H3,(H,17,18)
InChIKeyBUOGARJNPXQBDH-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.97
Rot. Bonds5

About 2-naphthalen-2-yl-2-(propylamino)acetic acid

2-naphthalen-2-yl-2-(propylamino)acetic acid (PubChem CID 43754123) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-naphthalen-2-yl-2-(propylamino)acetic acid.

Molecular Properties

Compound Name2-naphthalen-2-yl-2-(propylamino)acetic acid
PubChem CID43754123
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name2-naphthalen-2-yl-2-(propylamino)acetic acid
SMILESCCCNC(C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C15H17NO2/c1-2-9-16-14(15(17)18)13-8-7-11-5-3-4-6-12(11)10-13/h3-8,10,14,16H,2,9H2,1H3,(H,17,18)
InChIKeyBUOGARJNPXQBDH-UHFFFAOYSA-N
XLogP2.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(butanoylamino)-2-naphthalen-2-ylacetic acid
CID 120543507
2-naphthalen-2-yl-2-(pentanoylamino)acetic acid
CID 120543531
2-(4-bromo-3-methylphenyl)-2-(propylamino)acetic acid
CID 66480181
2-naphthalen-2-yl-2-(propylamino)ethanol
CID 61055183
3-naphthalen-2-yl-N-propylbutan-2-amine
CID 66437220
3-naphthalen-2-yl-3-(propylamino)propan-1-ol
CID 64814482
2-(4-propan-2-yloxyphenyl)-2-(propylamino)acetic acid
CID 54932626
2-[[carboxy(naphthalen-2-yl)methyl]amino]-4-methylpentanoic acid
CID 22144227
2-(6-methoxynaphthalen-2-yl)-2-(propylamino)acetamide
CID 60795776
2-naphthalen-2-ylbutanoic acid
CID 27266
2-(2-methoxybutanoylamino)-2-naphthalen-2-ylacetic acid
CID 120543590
2,2-dimethyl-1-naphthalen-2-yl-N-propylpropan-1-amine
CID 63413588

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-2-(propylamino)acetic acid?
The IUPAC name of 2-naphthalen-2-yl-2-(propylamino)acetic acid (CID 43754123) is 2-naphthalen-2-yl-2-(propylamino)acetic acid.
What is the SMILES notation for 2-naphthalen-2-yl-2-(propylamino)acetic acid?
The canonical SMILES for 2-naphthalen-2-yl-2-(propylamino)acetic acid is CCCNC(C(=O)O)c1ccc2ccccc2c1.
What is the InChIKey of 2-naphthalen-2-yl-2-(propylamino)acetic acid?
The InChIKey is BUOGARJNPXQBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-2-9-16-14(15(17)18)13-8-7-11-5-3-4-6-12(11)10-13/h3-8,10,14,16H,2,9H2,1H3,(H,17,18).
What are the key properties of 2-naphthalen-2-yl-2-(propylamino)acetic acid?
2-naphthalen-2-yl-2-(propylamino)acetic acid has a molecular weight of 243.31 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-2-(propylamino)acetic acid is sourced from PubChem (CID 43754123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).