(2S)-2-[(7-fluoroquinolin-4-yl)amino]-4-methylpentanoic acid

C15H17FN2O2 — CID 122050192

IUPAC(2S)-2-[(7-fluoroquinolin-4-yl)amino]-4-methylpentanoic acid
SMILESCC(C)C[C@H](Nc1ccnc2cc(F)ccc12)C(=O)O
InChIInChI=1S/C15H17FN2O2/c1-9(2)7-14(15(19)20)18-12-5-6-17-13-8-10(16)3-4-11(12)13/h3-6,8-9,14H,7H2,1-2H3,(H,17,18)(H,19,20)/t14-/m0/s1
InChIKeyHLTOOFULWIZCNH-AWEZNQCLSA-N
MW276.31 g/mol
LogP3.29
Rot. Bonds5

About (2S)-2-[(7-fluoroquinolin-4-yl)amino]-4-methylpentanoic acid

(2S)-2-[(7-fluoroquinolin-4-yl)amino]-4-methylpentanoic acid (PubChem CID 122050192) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is (2S)-2-[(7-fluoroquinolin-4-yl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(7-fluoroquinolin-4-yl)amino]-4-methylpentanoic acid
PubChem CID122050192
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name(2S)-2-[(7-fluoroquinolin-4-yl)amino]-4-methylpentanoic acid
SMILESCC(C)C[C@H](Nc1ccnc2cc(F)ccc12)C(=O)O
InChIInChI=1S/C15H17FN2O2/c1-9(2)7-14(15(19)20)18-12-5-6-17-13-8-10(16)3-4-11(12)13/h3-6,8-9,14H,7H2,1-2H3,(H,17,18)(H,19,20)/t14-/m0/s1
InChIKeyHLTOOFULWIZCNH-AWEZNQCLSA-N
XLogP3.29
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-methyl-2-(1,6-naphthyridin-4-ylamino)pentanoic acid
CID 120964573
(2S)-2-[(7-fluoroquinolin-2-yl)amino]-4-methylpentanoic acid
CID 122050140
2-[(7-fluoroquinolin-4-yl)amino]acetic acid
CID 83837512
ethyl 4-[(7-fluoroquinolin-4-yl)amino]pentanoate
CID 133407100
4-methyl-2-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]pentanoic acid
CID 122062498
2-[(3-chloro-2-methyl-4-pyridinyl)amino]-4-methylpentanoic acid
CID 122062515
1-N,1-N-diethyl-2-N-(7-fluoroquinolin-4-yl)propane-1,2-diamine
CID 10778800
(2S)-2-[(5-fluoro-2-pyridinyl)amino]-4-methylpentanoic acid
CID 120964579
2-(5-fluoro-2-nitroanilino)-4-methylpentanoic acid
CID 62374033
4-[(7-fluoroquinolin-4-yl)amino]benzoic acid
CID 54773030
(2R)-4-methyl-2-[(2-methyl-4-pyridinyl)amino]pentanoic acid
CID 120964135
(2S)-2-[(5-fluoro-2-methylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 61191548

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(7-fluoroquinolin-4-yl)amino]-4-methylpentanoic acid?
The IUPAC name of (2S)-2-[(7-fluoroquinolin-4-yl)amino]-4-methylpentanoic acid (CID 122050192) is (2S)-2-[(7-fluoroquinolin-4-yl)amino]-4-methylpentanoic acid.
What is the SMILES notation for (2S)-2-[(7-fluoroquinolin-4-yl)amino]-4-methylpentanoic acid?
The canonical SMILES for (2S)-2-[(7-fluoroquinolin-4-yl)amino]-4-methylpentanoic acid is CC(C)C[C@H](Nc1ccnc2cc(F)ccc12)C(=O)O.
What is the InChIKey of (2S)-2-[(7-fluoroquinolin-4-yl)amino]-4-methylpentanoic acid?
The InChIKey is HLTOOFULWIZCNH-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-9(2)7-14(15(19)20)18-12-5-6-17-13-8-10(16)3-4-11(12)13/h3-6,8-9,14H,7H2,1-2H3,(H,17,18)(H,19,20)/t14-/m0/s1.
What are the key properties of (2S)-2-[(7-fluoroquinolin-4-yl)amino]-4-methylpentanoic acid?
(2S)-2-[(7-fluoroquinolin-4-yl)amino]-4-methylpentanoic acid has a molecular weight of 276.31 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(7-fluoroquinolin-4-yl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 122050192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).