2-methyl-4-(naphthalen-1-ylamino)butanoic acid

C15H17NO2 — CID 115220580

IUPAC2-methyl-4-(naphthalen-1-ylamino)butanoic acid
SMILESCC(CCNc1cccc2ccccc12)C(=O)O
InChIInChI=1S/C15H17NO2/c1-11(15(17)18)9-10-16-14-8-4-6-12-5-2-3-7-13(12)14/h2-8,11,16H,9-10H2,1H3,(H,17,18)
InChIKeyWKUCRQXDQWOGOZ-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.36
Rot. Bonds5

About 2-methyl-4-(naphthalen-1-ylamino)butanoic acid

2-methyl-4-(naphthalen-1-ylamino)butanoic acid (PubChem CID 115220580) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-methyl-4-(naphthalen-1-ylamino)butanoic acid.

Molecular Properties

Compound Name2-methyl-4-(naphthalen-1-ylamino)butanoic acid
PubChem CID115220580
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name2-methyl-4-(naphthalen-1-ylamino)butanoic acid
SMILESCC(CCNc1cccc2ccccc12)C(=O)O
InChIInChI=1S/C15H17NO2/c1-11(15(17)18)9-10-16-14-8-4-6-12-5-2-3-7-13(12)14/h2-8,11,16H,9-10H2,1H3,(H,17,18)
InChIKeyWKUCRQXDQWOGOZ-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(methylamino)-3-(naphthalen-1-ylamino)propanoic acid
CID 115255971
4-(cinnolin-4-ylamino)-2-methylbutanoic acid
CID 80539553
azane;(2S)-2-(naphthalen-1-ylamino)propanoic acid
CID 66694712
2-methyl-4-(2-methyl-3-nitroanilino)butanoic acid
CID 80539401
N-naphthalen-1-yl-N'-propan-2-ylethane-1,2-diamine
CID 115206310
N,N'-dinaphthalen-1-ylethane-1,2-diamine;dihydrochloride
CID 69046784
2-(naphthalen-1-ylamino)butanoic acid
CID 64667732
N-(3,3-diethoxypropyl)naphthalen-1-amine
CID 81094321
(2S)-4-methyl-2-(2-naphthalen-1-ylhydrazinyl)pentanoic acid
CID 174526568
2-methyl-4-(quinazolin-4-ylamino)butanoic acid
CID 80539709
4-(2,4-dimethoxy-3-methylanilino)-2-methylbutanoic acid
CID 115220535
2,2-dimethyl-3-(naphthalen-1-ylamino)propanoic acid
CID 79629217

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(naphthalen-1-ylamino)butanoic acid?
The IUPAC name of 2-methyl-4-(naphthalen-1-ylamino)butanoic acid (CID 115220580) is 2-methyl-4-(naphthalen-1-ylamino)butanoic acid.
What is the SMILES notation for 2-methyl-4-(naphthalen-1-ylamino)butanoic acid?
The canonical SMILES for 2-methyl-4-(naphthalen-1-ylamino)butanoic acid is CC(CCNc1cccc2ccccc12)C(=O)O.
What is the InChIKey of 2-methyl-4-(naphthalen-1-ylamino)butanoic acid?
The InChIKey is WKUCRQXDQWOGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-11(15(17)18)9-10-16-14-8-4-6-12-5-2-3-7-13(12)14/h2-8,11,16H,9-10H2,1H3,(H,17,18).
What are the key properties of 2-methyl-4-(naphthalen-1-ylamino)butanoic acid?
2-methyl-4-(naphthalen-1-ylamino)butanoic acid has a molecular weight of 243.31 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(naphthalen-1-ylamino)butanoic acid is sourced from PubChem (CID 115220580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).