2-methyl-3-(quinolin-4-ylamino)propanoic acid

C13H14N2O2 — CID 62676263

IUPAC2-methyl-3-(quinolin-4-ylamino)propanoic acid
SMILESCC(CNc1ccnc2ccccc12)C(=O)O
InChIInChI=1S/C13H14N2O2/c1-9(13(16)17)8-15-12-6-7-14-11-5-3-2-4-10(11)12/h2-7,9H,8H2,1H3,(H,14,15)(H,16,17)
InChIKeyARUQNAMUGKYHEV-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.37
Rot. Bonds4

About 2-methyl-3-(quinolin-4-ylamino)propanoic acid

2-methyl-3-(quinolin-4-ylamino)propanoic acid (PubChem CID 62676263) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-methyl-3-(quinolin-4-ylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(quinolin-4-ylamino)propanoic acid
PubChem CID62676263
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-methyl-3-(quinolin-4-ylamino)propanoic acid
SMILESCC(CNc1ccnc2ccccc12)C(=O)O
InChIInChI=1S/C13H14N2O2/c1-9(13(16)17)8-15-12-6-7-14-11-5-3-2-4-10(11)12/h2-7,9H,8H2,1H3,(H,14,15)(H,16,17)
InChIKeyARUQNAMUGKYHEV-UHFFFAOYSA-N
XLogP2.37
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylbutyl)quinolin-4-amine
CID 62694785
N-(2,2-difluoroethyl)quinolin-4-amine
CID 79099279
1-N-quinolin-4-ylbutane-1,2-diamine
CID 63730587
1-(quinolin-4-ylamino)pentan-2-ol
CID 113234733
N-ethylquinolin-4-amine
CID 15306588
2-(quinolin-4-ylamino)acetamide
CID 61340443
N-(2-chloro-3-ethylpentyl)quinolin-4-amine
CID 106287021
3-(quinolin-4-ylamino)butanamide
CID 115685011
5-methoxy-2-(quinolin-4-ylamino)pentanoic acid
CID 81078422
2-methyl-3-(quinolin-4-ylmethylsulfinyl)propanoic acid
CID 79240694
bis(nitric acid);3-(quinolin-4-ylamino)propane-1,2-diol;hydrochloride
CID 160597532
2-quinolin-4-ylpropanoic acid
CID 127018626

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(quinolin-4-ylamino)propanoic acid?
The IUPAC name of 2-methyl-3-(quinolin-4-ylamino)propanoic acid (CID 62676263) is 2-methyl-3-(quinolin-4-ylamino)propanoic acid.
What is the SMILES notation for 2-methyl-3-(quinolin-4-ylamino)propanoic acid?
The canonical SMILES for 2-methyl-3-(quinolin-4-ylamino)propanoic acid is CC(CNc1ccnc2ccccc12)C(=O)O.
What is the InChIKey of 2-methyl-3-(quinolin-4-ylamino)propanoic acid?
The InChIKey is ARUQNAMUGKYHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9(13(16)17)8-15-12-6-7-14-11-5-3-2-4-10(11)12/h2-7,9H,8H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-methyl-3-(quinolin-4-ylamino)propanoic acid?
2-methyl-3-(quinolin-4-ylamino)propanoic acid has a molecular weight of 230.27 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(quinolin-4-ylamino)propanoic acid is sourced from PubChem (CID 62676263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).