2-[(2-cyano-3-pyridinyl)sulfonyl-propan-2-ylamino]acetic acid

C11H13N3O4S — CID 106593268

IUPAC2-[(2-cyano-3-pyridinyl)sulfonyl-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)S(=O)(=O)c1cccnc1C#N
InChIInChI=1S/C11H13N3O4S/c1-8(2)14(7-11(15)16)19(17,18)10-4-3-5-13-9(10)6-12/h3-5,8H,7H2,1-2H3,(H,15,16)
InChIKeyFNCRPPYRXULMJF-UHFFFAOYSA-N
MW283.31 g/mol
LogP0.44
Rot. Bonds5

About 2-[(2-cyano-3-pyridinyl)sulfonyl-propan-2-ylamino]acetic acid

2-[(2-cyano-3-pyridinyl)sulfonyl-propan-2-ylamino]acetic acid (PubChem CID 106593268) has the molecular formula C11H13N3O4S and a molecular weight of 283.31 g/mol. Its IUPAC name is 2-[(2-cyano-3-pyridinyl)sulfonyl-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-cyano-3-pyridinyl)sulfonyl-propan-2-ylamino]acetic acid
PubChem CID106593268
Molecular FormulaC11H13N3O4S
Molecular Weight283.31 g/mol
Exact Mass283.06
IUPAC Name2-[(2-cyano-3-pyridinyl)sulfonyl-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)S(=O)(=O)c1cccnc1C#N
InChIInChI=1S/C11H13N3O4S/c1-8(2)14(7-11(15)16)19(17,18)10-4-3-5-13-9(10)6-12/h3-5,8H,7H2,1-2H3,(H,15,16)
InChIKeyFNCRPPYRXULMJF-UHFFFAOYSA-N
XLogP0.44
TPSA111.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-cyano-3-pyridinyl)sulfonyl-(2-methoxyethyl)amino]acetic acid
CID 106593294
3-[(2-cyano-3-pyridinyl)sulfonylamino]butanoic acid
CID 106593255
2-cyano-N-methyl-N-(4-methylpentan-2-yl)pyridine-3-sulfonamide
CID 106545418
2-cyano-N-methyl-N-pentan-3-ylpyridine-3-sulfonamide
CID 106545415
methyl 3-[(2-cyano-3-pyridinyl)sulfonyl-methylamino]-2-methylpropanoate
CID 106545523
2-cyano-N-methoxy-N-methylpyridine-3-sulfonamide
CID 106545270
N-(3-amino-4-methylpentyl)-2-cyano-N-methylpyridine-3-sulfonamide
CID 106598661
2-cyano-N-cyclopropyl-N-methylpyridine-3-sulfonamide
CID 106545449
2-cyano-N-methyl-N-prop-2-enylpyridine-3-sulfonamide
CID 106546805
2-cyano-N-[(2S)-2-hydroxypropyl]pyridine-3-sulfonamide
CID 106546656
2-[(3-chloro-2-fluorophenyl)sulfonyl-propan-2-ylamino]acetic acid
CID 60829469
2-cyano-N-(2-phenylpropyl)pyridine-3-sulfonamide
CID 106545234

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyano-3-pyridinyl)sulfonyl-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(2-cyano-3-pyridinyl)sulfonyl-propan-2-ylamino]acetic acid (CID 106593268) is 2-[(2-cyano-3-pyridinyl)sulfonyl-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(2-cyano-3-pyridinyl)sulfonyl-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(2-cyano-3-pyridinyl)sulfonyl-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)S(=O)(=O)c1cccnc1C#N.
What is the InChIKey of 2-[(2-cyano-3-pyridinyl)sulfonyl-propan-2-ylamino]acetic acid?
The InChIKey is FNCRPPYRXULMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4S/c1-8(2)14(7-11(15)16)19(17,18)10-4-3-5-13-9(10)6-12/h3-5,8H,7H2,1-2H3,(H,15,16).
What are the key properties of 2-[(2-cyano-3-pyridinyl)sulfonyl-propan-2-ylamino]acetic acid?
2-[(2-cyano-3-pyridinyl)sulfonyl-propan-2-ylamino]acetic acid has a molecular weight of 283.31 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyano-3-pyridinyl)sulfonyl-propan-2-ylamino]acetic acid is sourced from PubChem (CID 106593268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).