(2S)-2-[(5-fluoro-2-pyridinyl)amino]-4-methylpentanoic acid

C11H15FN2O2 — CID 120964579

IUPAC(2S)-2-[(5-fluoro-2-pyridinyl)amino]-4-methylpentanoic acid
SMILESCC(C)C[C@H](Nc1ccc(F)cn1)C(=O)O
InChIInChI=1S/C11H15FN2O2/c1-7(2)5-9(11(15)16)14-10-4-3-8(12)6-13-10/h3-4,6-7,9H,5H2,1-2H3,(H,13,14)(H,15,16)/t9-/m0/s1
InChIKeyREOKADREWPPDCM-VIFPVBQESA-N
MW226.25 g/mol
LogP2.13
Rot. Bonds5

About (2S)-2-[(5-fluoro-2-pyridinyl)amino]-4-methylpentanoic acid

(2S)-2-[(5-fluoro-2-pyridinyl)amino]-4-methylpentanoic acid (PubChem CID 120964579) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is (2S)-2-[(5-fluoro-2-pyridinyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(5-fluoro-2-pyridinyl)amino]-4-methylpentanoic acid
PubChem CID120964579
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name(2S)-2-[(5-fluoro-2-pyridinyl)amino]-4-methylpentanoic acid
SMILESCC(C)C[C@H](Nc1ccc(F)cn1)C(=O)O
InChIInChI=1S/C11H15FN2O2/c1-7(2)5-9(11(15)16)14-10-4-3-8(12)6-13-10/h3-4,6-7,9H,5H2,1-2H3,(H,13,14)(H,15,16)/t9-/m0/s1
InChIKeyREOKADREWPPDCM-VIFPVBQESA-N
XLogP2.13
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(5-carbamoyl-2-pyridinyl)amino]-4-methylpentanoic acid
CID 122050028
(2S)-2-[(7-fluoroquinolin-2-yl)amino]-4-methylpentanoic acid
CID 122050140
2-[[5-(2-methoxyethylcarbamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid
CID 122062569
(2S)-4-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]pentanoic acid
CID 122050256
(2R)-4-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]pentanoic acid
CID 122049069
2-[(5-bromo-4-methyl-2-pyridinyl)amino]-4-methylpentanoic acid
CID 122062511
(2S)-2-[(7-fluoroquinolin-4-yl)amino]-4-methylpentanoic acid
CID 122050192
2-[[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]-4-methylpentanoic acid
CID 137061342
1-[(5-fluoro-2-pyridinyl)amino]-4-methylpentan-2-ol
CID 107153298
4-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentanoic acid
CID 66328053
(2S)-2-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]-4-methylpentanoic acid
CID 137098069
(2S)-N'-(5-fluoro-2-pyridinyl)-2-methylbutanehydrazide
CID 137354634

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-fluoro-2-pyridinyl)amino]-4-methylpentanoic acid?
The IUPAC name of (2S)-2-[(5-fluoro-2-pyridinyl)amino]-4-methylpentanoic acid (CID 120964579) is (2S)-2-[(5-fluoro-2-pyridinyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for (2S)-2-[(5-fluoro-2-pyridinyl)amino]-4-methylpentanoic acid?
The canonical SMILES for (2S)-2-[(5-fluoro-2-pyridinyl)amino]-4-methylpentanoic acid is CC(C)C[C@H](Nc1ccc(F)cn1)C(=O)O.
What is the InChIKey of (2S)-2-[(5-fluoro-2-pyridinyl)amino]-4-methylpentanoic acid?
The InChIKey is REOKADREWPPDCM-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-7(2)5-9(11(15)16)14-10-4-3-8(12)6-13-10/h3-4,6-7,9H,5H2,1-2H3,(H,13,14)(H,15,16)/t9-/m0/s1.
What are the key properties of (2S)-2-[(5-fluoro-2-pyridinyl)amino]-4-methylpentanoic acid?
(2S)-2-[(5-fluoro-2-pyridinyl)amino]-4-methylpentanoic acid has a molecular weight of 226.25 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-fluoro-2-pyridinyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 120964579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).