2-(naphthalen-1-ylamino)butanoic acid

C14H15NO2 — CID 64667732

IUPAC2-(naphthalen-1-ylamino)butanoic acid
SMILESCCC(Nc1cccc2ccccc12)C(=O)O
InChIInChI=1S/C14H15NO2/c1-2-12(14(16)17)15-13-9-5-7-10-6-3-4-8-11(10)13/h3-9,12,15H,2H2,1H3,(H,16,17)
InChIKeyKSLUPDNFTSFOKJ-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.11
Rot. Bonds4

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

2-(naphthalen-1-ylamino)butanoic acid (PubChem CID 64667732) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(naphthalen-1-ylamino)butanoic acid.

Molecular Properties

Compound Name2-(naphthalen-1-ylamino)butanoic acid
PubChem CID64667732
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name2-(naphthalen-1-ylamino)butanoic acid
SMILESCCC(Nc1cccc2ccccc12)C(=O)O
InChIInChI=1S/C14H15NO2/c1-2-12(14(16)17)15-13-9-5-7-10-6-3-4-8-11(10)13/h3-9,12,15H,2H2,1H3,(H,16,17)
InChIKeyKSLUPDNFTSFOKJ-UHFFFAOYSA-N
XLogP3.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(naphthalen-1-ylamino)butanedioic acid
CID 115144291
2-(naphthalen-1-ylamino)-5-oxopentanoic acid
CID 144900883
(2S)-5-amino-2-(naphthalen-1-ylamino)pentanoic acid
CID 141020858
azane;(2S)-2-(naphthalen-1-ylamino)propanoic acid
CID 66694712
2-(methylamino)-3-(naphthalen-1-ylamino)propanoic acid
CID 115255971
2-[2-[(dimethylamino)methyl]anilino]butanoic acid
CID 115353025
2-[2-(trifluoromethoxy)anilino]butanoic acid
CID 64668144
(2S)-4-methyl-2-(2-naphthalen-1-ylhydrazinyl)pentanoic acid
CID 174526568
2-methyl-4-(naphthalen-1-ylamino)butanoic acid
CID 115220580
(2S)-2-(naphthalen-1-ylamino)-N-(pyridin-4-ylmethylideneamino)butanamide
CID 129440355
2-(2,6-dibromoanilino)butanoic acid
CID 107597732
(2R)-2-(naphthalen-1-ylcarbamoylamino)butanedioic acid
CID 40606625

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-1-ylamino)butanoic acid?
The IUPAC name of 2-(naphthalen-1-ylamino)butanoic acid (CID 64667732) is 2-(naphthalen-1-ylamino)butanoic acid.
What is the SMILES notation for 2-(naphthalen-1-ylamino)butanoic acid?
The canonical SMILES for 2-(naphthalen-1-ylamino)butanoic acid is CCC(Nc1cccc2ccccc12)C(=O)O.
What is the InChIKey of 2-(naphthalen-1-ylamino)butanoic acid?
The InChIKey is KSLUPDNFTSFOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-2-12(14(16)17)15-13-9-5-7-10-6-3-4-8-11(10)13/h3-9,12,15H,2H2,1H3,(H,16,17).
What are the key properties of 2-(naphthalen-1-ylamino)butanoic acid?
2-(naphthalen-1-ylamino)butanoic acid has a molecular weight of 229.28 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-ylamino)butanoic acid is sourced from PubChem (CID 64667732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).