(2S)-4-amino-2-[(3-fluoropyridine-4-carbonyl)amino]-4-oxobutanoic acid

C10H10FN3O4 — CID 64950275

IUPAC(2S)-4-amino-2-[(3-fluoropyridine-4-carbonyl)amino]-4-oxobutanoic acid
SMILESNC(=O)C[C@H](NC(=O)c1ccncc1F)C(=O)O
InChIInChI=1S/C10H10FN3O4/c11-6-4-13-2-1-5(6)9(16)14-7(10(17)18)3-8(12)15/h1-2,4,7H,3H2,(H2,12,15)(H,14,16)(H,17,18)/t7-/m0/s1
InChIKeyRFTLUCVIOVSSLU-ZETCQYMHSA-N
MW255.20 g/mol
LogP-0.72
Rot. Bonds5

About (2S)-4-amino-2-[(3-fluoropyridine-4-carbonyl)amino]-4-oxobutanoic acid

(2S)-4-amino-2-[(3-fluoropyridine-4-carbonyl)amino]-4-oxobutanoic acid (PubChem CID 64950275) has the molecular formula C10H10FN3O4 and a molecular weight of 255.20 g/mol. Its IUPAC name is (2S)-4-amino-2-[(3-fluoropyridine-4-carbonyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2S)-4-amino-2-[(3-fluoropyridine-4-carbonyl)amino]-4-oxobutanoic acid
PubChem CID64950275
Molecular FormulaC10H10FN3O4
Molecular Weight255.20 g/mol
Exact Mass255.07
IUPAC Name(2S)-4-amino-2-[(3-fluoropyridine-4-carbonyl)amino]-4-oxobutanoic acid
SMILESNC(=O)C[C@H](NC(=O)c1ccncc1F)C(=O)O
InChIInChI=1S/C10H10FN3O4/c11-6-4-13-2-1-5(6)9(16)14-7(10(17)18)3-8(12)15/h1-2,4,7H,3H2,(H2,12,15)(H,14,16)(H,17,18)/t7-/m0/s1
InChIKeyRFTLUCVIOVSSLU-ZETCQYMHSA-N
XLogP-0.72
TPSA122.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(3-fluoropyridine-4-carbonyl)amino]-3-hydroxypropanoic acid
CID 80751208
4-amino-2-[(3-methoxypyridine-4-carbonyl)amino]-4-oxobutanoic acid
CID 105063070
(2R)-4-amino-2-[(2-fluoro-4-methylbenzoyl)amino]-4-oxobutanoic acid
CID 107821559
3-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide
CID 113356364
4-amino-2-(1,2-oxazole-5-carbonylamino)-4-oxobutanoic acid
CID 43209858
(2R)-4-amino-2-[(4-chlorobenzoyl)amino]-4-oxobutanoic acid
CID 7062801
(2S)-4-amino-2-[(2,5-dichlorobenzoyl)amino]-4-oxobutanoic acid
CID 29282640
(2R)-4-amino-2-[(4-fluoro-2-methylbenzoyl)amino]-4-oxobutanoic acid
CID 107821566
4-amino-2-[(4-fluoro-2-iodobenzoyl)amino]-4-oxobutanoic acid
CID 114029156
(2R)-4-amino-2-[(5-fluoro-2-methylbenzoyl)amino]-4-oxobutanoic acid
CID 94994061
(2R)-4-amino-2-[(2-chlorobenzoyl)amino]-4-oxobutanoic acid
CID 2302928
(2R)-4-amino-2-[(1-methylpyrazole-3-carbonyl)amino]-4-oxobutanoic acid
CID 107821158

Frequently Asked Questions

What is the IUPAC name of (2S)-4-amino-2-[(3-fluoropyridine-4-carbonyl)amino]-4-oxobutanoic acid?
The IUPAC name of (2S)-4-amino-2-[(3-fluoropyridine-4-carbonyl)amino]-4-oxobutanoic acid (CID 64950275) is (2S)-4-amino-2-[(3-fluoropyridine-4-carbonyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for (2S)-4-amino-2-[(3-fluoropyridine-4-carbonyl)amino]-4-oxobutanoic acid?
The canonical SMILES for (2S)-4-amino-2-[(3-fluoropyridine-4-carbonyl)amino]-4-oxobutanoic acid is NC(=O)C[C@H](NC(=O)c1ccncc1F)C(=O)O.
What is the InChIKey of (2S)-4-amino-2-[(3-fluoropyridine-4-carbonyl)amino]-4-oxobutanoic acid?
The InChIKey is RFTLUCVIOVSSLU-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H10FN3O4/c11-6-4-13-2-1-5(6)9(16)14-7(10(17)18)3-8(12)15/h1-2,4,7H,3H2,(H2,12,15)(H,14,16)(H,17,18)/t7-/m0/s1.
What are the key properties of (2S)-4-amino-2-[(3-fluoropyridine-4-carbonyl)amino]-4-oxobutanoic acid?
(2S)-4-amino-2-[(3-fluoropyridine-4-carbonyl)amino]-4-oxobutanoic acid has a molecular weight of 255.20 g/mol, XLogP of -0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-amino-2-[(3-fluoropyridine-4-carbonyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 64950275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).