(2R)-2-[(7-fluoroquinolin-2-yl)amino]-3-methylbutanoic acid

C14H15FN2O2 — CID 122050819

IUPAC(2R)-2-[(7-fluoroquinolin-2-yl)amino]-3-methylbutanoic acid
SMILESCC(C)[C@@H](Nc1ccc2ccc(F)cc2n1)C(=O)O
InChIInChI=1S/C14H15FN2O2/c1-8(2)13(14(18)19)17-12-6-4-9-3-5-10(15)7-11(9)16-12/h3-8,13H,1-2H3,(H,16,17)(H,18,19)/t13-/m1/s1
InChIKeyCJJNSGZTWYKCPP-CYBMUJFWSA-N
MW262.28 g/mol
LogP2.89
Rot. Bonds4

About (2R)-2-[(7-fluoroquinolin-2-yl)amino]-3-methylbutanoic acid

(2R)-2-[(7-fluoroquinolin-2-yl)amino]-3-methylbutanoic acid (PubChem CID 122050819) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is (2R)-2-[(7-fluoroquinolin-2-yl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(7-fluoroquinolin-2-yl)amino]-3-methylbutanoic acid
PubChem CID122050819
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name(2R)-2-[(7-fluoroquinolin-2-yl)amino]-3-methylbutanoic acid
SMILESCC(C)[C@@H](Nc1ccc2ccc(F)cc2n1)C(=O)O
InChIInChI=1S/C14H15FN2O2/c1-8(2)13(14(18)19)17-12-6-4-9-3-5-10(15)7-11(9)16-12/h3-8,13H,1-2H3,(H,16,17)(H,18,19)/t13-/m1/s1
InChIKeyCJJNSGZTWYKCPP-CYBMUJFWSA-N
XLogP2.89
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

(2S)-2-[(7-fluoroquinolin-2-yl)amino]-4-methylpentanoic acid
CID 122050140
(2R)-2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]-3-methylbutanoic acid
CID 122050836
3-(7-fluoroquinolin-2-yl)-2-methylpropanoic acid
CID 82243062
N-ethyl-7-fluoroquinolin-2-amine
CID 112695185
2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methylbutanoic acid
CID 121204763
2-[(2-bromo-5-fluorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 107629066
(2R)-2-(2-fluoro-4-methylsulfonylanilino)-3-methylbutanoic acid
CID 122050702
(2R)-3-methyl-2-[(6-methylsulfanylpyrazin-2-yl)amino]butanoic acid
CID 122050754
3-methyl-2-(pyridazin-3-ylamino)butanoic acid
CID 82239340
(2S)-2-[(2,4-difluorophenyl)methylcarbamoylamino]-3-methylbutanoic acid
CID 62227773
(2R)-2-[[2-(difluoromethyl)quinazolin-4-yl]amino]-3-methylbutanoic acid
CID 122050851
(2S)-2-[[2-(difluoromethyl)quinazolin-4-yl]amino]-3-methylbutanoic acid
CID 122049640

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(7-fluoroquinolin-2-yl)amino]-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[(7-fluoroquinolin-2-yl)amino]-3-methylbutanoic acid (CID 122050819) is (2R)-2-[(7-fluoroquinolin-2-yl)amino]-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[(7-fluoroquinolin-2-yl)amino]-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[(7-fluoroquinolin-2-yl)amino]-3-methylbutanoic acid is CC(C)[C@@H](Nc1ccc2ccc(F)cc2n1)C(=O)O.
What is the InChIKey of (2R)-2-[(7-fluoroquinolin-2-yl)amino]-3-methylbutanoic acid?
The InChIKey is CJJNSGZTWYKCPP-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-8(2)13(14(18)19)17-12-6-4-9-3-5-10(15)7-11(9)16-12/h3-8,13H,1-2H3,(H,16,17)(H,18,19)/t13-/m1/s1.
What are the key properties of (2R)-2-[(7-fluoroquinolin-2-yl)amino]-3-methylbutanoic acid?
(2R)-2-[(7-fluoroquinolin-2-yl)amino]-3-methylbutanoic acid has a molecular weight of 262.28 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(7-fluoroquinolin-2-yl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 122050819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).