(2S)-2-amino-N-(3,5-difluoro-2-pyridinyl)-3-hydroxypropanamide

C8H9F2N3O2 — CID 156842608

IUPAC(2S)-2-amino-N-(3,5-difluoro-2-pyridinyl)-3-hydroxypropanamide
SMILESN[C@@H](CO)C(=O)Nc1ncc(F)cc1F
InChIInChI=1S/C8H9F2N3O2/c9-4-1-5(10)7(12-2-4)13-8(15)6(11)3-14/h1-2,6,14H,3,11H2,(H,12,13,15)/t6-/m0/s1
InChIKeyURSZFTIYYYXNBO-LURJTMIESA-N
MW217.18 g/mol
LogP-0.38
Rot. Bonds3

About (2S)-2-amino-N-(3,5-difluoro-2-pyridinyl)-3-hydroxypropanamide

(2S)-2-amino-N-(3,5-difluoro-2-pyridinyl)-3-hydroxypropanamide (PubChem CID 156842608) has the molecular formula C8H9F2N3O2 and a molecular weight of 217.18 g/mol. Its IUPAC name is (2S)-2-amino-N-(3,5-difluoro-2-pyridinyl)-3-hydroxypropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3,5-difluoro-2-pyridinyl)-3-hydroxypropanamide
PubChem CID156842608
Molecular FormulaC8H9F2N3O2
Molecular Weight217.18 g/mol
Exact Mass217.07
IUPAC Name(2S)-2-amino-N-(3,5-difluoro-2-pyridinyl)-3-hydroxypropanamide
SMILESN[C@@H](CO)C(=O)Nc1ncc(F)cc1F
InChIInChI=1S/C8H9F2N3O2/c9-4-1-5(10)7(12-2-4)13-8(15)6(11)3-14/h1-2,6,14H,3,11H2,(H,12,13,15)/t6-/m0/s1
InChIKeyURSZFTIYYYXNBO-LURJTMIESA-N
XLogP-0.38
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-2-(3,5-difluoro-2-pyridinyl)ethanol
CID 70700762
(2R)-2-amino-3-(3,5-difluoro-2-pyridinyl)propanoic acid
CID 131055961
(2S)-2-amino-N-(5-fluoro-2-pyridinyl)-3-(4-hydroxyphenyl)propanamide
CID 65482263
(2R)-2-amino-N-(5-bromo-3-pyridinyl)-3-hydroxypropanamide
CID 135386318
1-N-(3,5-difluoro-2-pyridinyl)pentane-1,4-diamine
CID 106127704
2-[(3,5-difluoro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide
CID 113407924
1-[(3,5-difluoro-2-pyridinyl)amino]-4,4-dimethylpentan-2-ol
CID 107153237
2-amino-N-(2-chloro-4,6-difluorophenyl)butanamide
CID 83088281
(2S)-2-amino-N-(2-chloro-4,6-difluorophenyl)butanamide
CID 83087285
(2R)-2-amino-4-methyl-N-(2,4,6-trifluorophenyl)pentanamide
CID 104903642
3-(3,5-difluoro-2-pyridinyl)butanamide
CID 172777205
N-(3,3-difluoropropyl)-3,5-difluoropyridin-2-amine
CID 127013338

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3,5-difluoro-2-pyridinyl)-3-hydroxypropanamide?
The IUPAC name of (2S)-2-amino-N-(3,5-difluoro-2-pyridinyl)-3-hydroxypropanamide (CID 156842608) is (2S)-2-amino-N-(3,5-difluoro-2-pyridinyl)-3-hydroxypropanamide.
What is the SMILES notation for (2S)-2-amino-N-(3,5-difluoro-2-pyridinyl)-3-hydroxypropanamide?
The canonical SMILES for (2S)-2-amino-N-(3,5-difluoro-2-pyridinyl)-3-hydroxypropanamide is N[C@@H](CO)C(=O)Nc1ncc(F)cc1F.
What is the InChIKey of (2S)-2-amino-N-(3,5-difluoro-2-pyridinyl)-3-hydroxypropanamide?
The InChIKey is URSZFTIYYYXNBO-LURJTMIESA-N. The full InChI is InChI=1S/C8H9F2N3O2/c9-4-1-5(10)7(12-2-4)13-8(15)6(11)3-14/h1-2,6,14H,3,11H2,(H,12,13,15)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3,5-difluoro-2-pyridinyl)-3-hydroxypropanamide?
(2S)-2-amino-N-(3,5-difluoro-2-pyridinyl)-3-hydroxypropanamide has a molecular weight of 217.18 g/mol, XLogP of -0.38, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3,5-difluoro-2-pyridinyl)-3-hydroxypropanamide is sourced from PubChem (CID 156842608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).