2-(methylamino)-3-(naphthalen-1-ylamino)propanoic acid

C14H16N2O2 — CID 115255971

IUPAC2-(methylamino)-3-(naphthalen-1-ylamino)propanoic acid
SMILESCNC(CNc1cccc2ccccc12)C(=O)O
InChIInChI=1S/C14H16N2O2/c1-15-13(14(17)18)9-16-12-8-4-6-10-5-2-3-7-11(10)12/h2-8,13,15-16H,9H2,1H3,(H,17,18)
InChIKeyQABWTMMXICXASE-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.92
Rot. Bonds5

About 2-(methylamino)-3-(naphthalen-1-ylamino)propanoic acid

2-(methylamino)-3-(naphthalen-1-ylamino)propanoic acid (PubChem CID 115255971) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-(methylamino)-3-(naphthalen-1-ylamino)propanoic acid.

Molecular Properties

Compound Name2-(methylamino)-3-(naphthalen-1-ylamino)propanoic acid
PubChem CID115255971
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-(methylamino)-3-(naphthalen-1-ylamino)propanoic acid
SMILESCNC(CNc1cccc2ccccc12)C(=O)O
InChIInChI=1S/C14H16N2O2/c1-15-13(14(17)18)9-16-12-8-4-6-10-5-2-3-7-11(10)12/h2-8,13,15-16H,9H2,1H3,(H,17,18)
InChIKeyQABWTMMXICXASE-UHFFFAOYSA-N
XLogP1.92
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-(naphthalen-1-ylamino)butanoic acid
CID 115220580
2-(naphthalen-1-ylamino)butanoic acid
CID 64667732
3,3,3-trifluoro-2-[(naphthalen-1-ylamino)methyl]propanoic acid
CID 103231545
(2S)-2-(methylamino)-3-(naphthalen-2-ylamino)propanoic acid
CID 167305081
2-(naphthalen-1-ylamino)butanedioic acid
CID 115144291
N-[1-iodo-2-(naphthalen-1-ylamino)ethyl]acetamide
CID 168801099
(2S)-4-methyl-2-(2-naphthalen-1-ylhydrazinyl)pentanoic acid
CID 174526568
2,2-dimethyl-3-(naphthalen-1-ylamino)propanoic acid
CID 79629217
azane;(2S)-2-(naphthalen-1-ylamino)propanoic acid
CID 66694712
3-(naphthalen-1-ylamino)propane-1,2-diol
CID 3017963
3-amino-1-iodo-4-(naphthalen-1-ylamino)butan-2-one
CID 174493300
(2R)-2-(naphthalen-1-ylcarbamoylamino)butanedioic acid
CID 40606625

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-3-(naphthalen-1-ylamino)propanoic acid?
The IUPAC name of 2-(methylamino)-3-(naphthalen-1-ylamino)propanoic acid (CID 115255971) is 2-(methylamino)-3-(naphthalen-1-ylamino)propanoic acid.
What is the SMILES notation for 2-(methylamino)-3-(naphthalen-1-ylamino)propanoic acid?
The canonical SMILES for 2-(methylamino)-3-(naphthalen-1-ylamino)propanoic acid is CNC(CNc1cccc2ccccc12)C(=O)O.
What is the InChIKey of 2-(methylamino)-3-(naphthalen-1-ylamino)propanoic acid?
The InChIKey is QABWTMMXICXASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-15-13(14(17)18)9-16-12-8-4-6-10-5-2-3-7-11(10)12/h2-8,13,15-16H,9H2,1H3,(H,17,18).
What are the key properties of 2-(methylamino)-3-(naphthalen-1-ylamino)propanoic acid?
2-(methylamino)-3-(naphthalen-1-ylamino)propanoic acid has a molecular weight of 244.29 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-3-(naphthalen-1-ylamino)propanoic acid is sourced from PubChem (CID 115255971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).