5-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]pyridine-2-carboxylic acid

C11H15N3O3S — CID 104908861

IUPAC5-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]pyridine-2-carboxylic acid
SMILESCSCC[C@@H](N)C(=O)Nc1ccc(C(=O)O)nc1
InChIInChI=1S/C11H15N3O3S/c1-18-5-4-8(12)10(15)14-7-2-3-9(11(16)17)13-6-7/h2-3,6,8H,4-5,12H2,1H3,(H,14,15)(H,16,17)/t8-/m1/s1
InChIKeyIIPFVOGAPHYRPA-MRVPVSSYSA-N
MW269.33 g/mol
LogP0.80
Rot. Bonds6

About 5-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]pyridine-2-carboxylic acid

5-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]pyridine-2-carboxylic acid (PubChem CID 104908861) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 5-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]pyridine-2-carboxylic acid
PubChem CID104908861
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name5-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]pyridine-2-carboxylic acid
SMILESCSCC[C@@H](N)C(=O)Nc1ccc(C(=O)O)nc1
InChIInChI=1S/C11H15N3O3S/c1-18-5-4-8(12)10(15)14-7-2-3-9(11(16)17)13-6-7/h2-3,6,8H,4-5,12H2,1H3,(H,14,15)(H,16,17)/t8-/m1/s1
InChIKeyIIPFVOGAPHYRPA-MRVPVSSYSA-N
XLogP0.80
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]pyridine-2-carboxylic acid with MolForge

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Related Compounds

(2S)-2-amino-N-(6-chloro-3-pyridinyl)-4-methylsulfanylbutanamide
CID 81425127
(2R)-2-amino-N-(6-methoxy-3-pyridinyl)-4-methylsulfanylbutanamide
CID 104906808
(2R)-2-amino-4-methylsulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]butanamide
CID 104908933
(2S)-2-amino-4-methylsulfanyl-N-(6-methylsulfonyl-3-pyridinyl)butanamide;dihydrochloride
CID 119854939
4-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-2-methylbenzoic acid
CID 104908297
(2S)-2-amino-4-methylsulfanyl-N-pyridin-4-ylbutanamide
CID 61148006
(2S)-2-amino-4-methylsulfanyl-N-[4-(propanoylamino)phenyl]butanamide
CID 61179133
3-[4-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]phenyl]propanoic acid
CID 115340050
(2S)-2-amino-N-(4-fluoro-3-methylphenyl)-4-methylsulfanylbutanamide
CID 55119461
(2R)-2-amino-N-[4-(ethylsulfonylamino)phenyl]-4-methylsulfanylbutanamide
CID 104907564
ethyl N-[4-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]phenyl]carbamate
CID 104907269
(2S)-2-amino-4-methylsulfanyl-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]butanamide;hydrochloride
CID 119311042

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]pyridine-2-carboxylic acid (CID 104908861) is 5-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]pyridine-2-carboxylic acid is CSCC[C@@H](N)C(=O)Nc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]pyridine-2-carboxylic acid?
The InChIKey is IIPFVOGAPHYRPA-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-18-5-4-8(12)10(15)14-7-2-3-9(11(16)17)13-6-7/h2-3,6,8H,4-5,12H2,1H3,(H,14,15)(H,16,17)/t8-/m1/s1.
What are the key properties of 5-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]pyridine-2-carboxylic acid?
5-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]pyridine-2-carboxylic acid has a molecular weight of 269.33 g/mol, XLogP of 0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 104908861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).