methyl (2S)-2-[(2-fluoropyridine-3-carbonyl)amino]propanoate

C10H11FN2O3 — CID 107358613

IUPACmethyl (2S)-2-[(2-fluoropyridine-3-carbonyl)amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)c1cccnc1F
InChIInChI=1S/C10H11FN2O3/c1-6(10(15)16-2)13-9(14)7-4-3-5-12-8(7)11/h3-6H,1-2H3,(H,13,14)/t6-/m0/s1
InChIKeyHCAPKLMEIWVGQN-LURJTMIESA-N
MW226.21 g/mol
LogP0.51
Rot. Bonds3

About methyl (2S)-2-[(2-fluoropyridine-3-carbonyl)amino]propanoate

methyl (2S)-2-[(2-fluoropyridine-3-carbonyl)amino]propanoate (PubChem CID 107358613) has the molecular formula C10H11FN2O3 and a molecular weight of 226.21 g/mol. Its IUPAC name is methyl (2S)-2-[(2-fluoropyridine-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(2-fluoropyridine-3-carbonyl)amino]propanoate
PubChem CID107358613
Molecular FormulaC10H11FN2O3
Molecular Weight226.21 g/mol
Exact Mass226.08
IUPAC Namemethyl (2S)-2-[(2-fluoropyridine-3-carbonyl)amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)c1cccnc1F
InChIInChI=1S/C10H11FN2O3/c1-6(10(15)16-2)13-9(14)7-4-3-5-12-8(7)11/h3-6H,1-2H3,(H,13,14)/t6-/m0/s1
InChIKeyHCAPKLMEIWVGQN-LURJTMIESA-N
XLogP0.51
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-propan-2-ylpyridine-3-carboxamide
CID 83404912
methyl 2-[(2-fluoropyridine-3-carbonyl)amino]-3-methylbutanoate
CID 107358834
2-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]pyridine-3-carboxylic acid
CID 55249525
2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide
CID 107358920
2-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 107358477
2-fluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 107358475
methyl 2-[(2-fluoropyridine-4-carbonyl)amino]propanoate
CID 61499841
2-fluoro-N-[4-(4-hydroxyphenyl)butan-2-yl]pyridine-3-carboxamide
CID 107363208
N-tert-butyl-2-fluoropyridine-3-carboxamide
CID 83405548
methyl 2-[(4-fluoro-2-hydroxybenzoyl)amino]propanoate
CID 107015165
methyl (2R)-2-[[4-[3-[[(2R)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-4-pyridinyl]pyridine-3-carbonyl]amino]propanoate
CID 139180597
2-fluoro-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide
CID 107358824

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(2-fluoropyridine-3-carbonyl)amino]propanoate?
The IUPAC name of methyl (2S)-2-[(2-fluoropyridine-3-carbonyl)amino]propanoate (CID 107358613) is methyl (2S)-2-[(2-fluoropyridine-3-carbonyl)amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[(2-fluoropyridine-3-carbonyl)amino]propanoate?
The canonical SMILES for methyl (2S)-2-[(2-fluoropyridine-3-carbonyl)amino]propanoate is COC(=O)[C@H](C)NC(=O)c1cccnc1F.
What is the InChIKey of methyl (2S)-2-[(2-fluoropyridine-3-carbonyl)amino]propanoate?
The InChIKey is HCAPKLMEIWVGQN-LURJTMIESA-N. The full InChI is InChI=1S/C10H11FN2O3/c1-6(10(15)16-2)13-9(14)7-4-3-5-12-8(7)11/h3-6H,1-2H3,(H,13,14)/t6-/m0/s1.
What are the key properties of methyl (2S)-2-[(2-fluoropyridine-3-carbonyl)amino]propanoate?
methyl (2S)-2-[(2-fluoropyridine-3-carbonyl)amino]propanoate has a molecular weight of 226.21 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(2-fluoropyridine-3-carbonyl)amino]propanoate is sourced from PubChem (CID 107358613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).