2-[(4-cyano-2-pyridinyl)amino]butanoic acid

C10H11N3O2 — CID 43470148

IUPAC2-[(4-cyano-2-pyridinyl)amino]butanoic acid
SMILESCCC(Nc1cc(C#N)ccn1)C(=O)O
InChIInChI=1S/C10H11N3O2/c1-2-8(10(14)15)13-9-5-7(6-11)3-4-12-9/h3-5,8H,2H2,1H3,(H,12,13)(H,14,15)
InChIKeyMMTFYTCNIMTDRT-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.23
Rot. Bonds4

About 2-[(4-cyano-2-pyridinyl)amino]butanoic acid

2-[(4-cyano-2-pyridinyl)amino]butanoic acid (PubChem CID 43470148) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 2-[(4-cyano-2-pyridinyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(4-cyano-2-pyridinyl)amino]butanoic acid
PubChem CID43470148
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name2-[(4-cyano-2-pyridinyl)amino]butanoic acid
SMILESCCC(Nc1cc(C#N)ccn1)C(=O)O
InChIInChI=1S/C10H11N3O2/c1-2-8(10(14)15)13-9-5-7(6-11)3-4-12-9/h3-5,8H,2H2,1H3,(H,12,13)(H,14,15)
InChIKeyMMTFYTCNIMTDRT-UHFFFAOYSA-N
XLogP1.23
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(4-cyanopyrimidin-2-yl)amino]butanoic acid
CID 167798650
2-(3-methylbutan-2-ylamino)pyridine-4-carbonitrile
CID 43131440
2-(5-methylhexan-2-ylamino)pyridine-4-carbonitrile
CID 63926299
2-[(4-cyano-2-pyridinyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 113279571
2-[(2-hydroxy-1-phenylethyl)amino]pyridine-4-carbonitrile
CID 63183198
2-[(6-methoxypyrimidin-4-yl)amino]butanoic acid
CID 66318731
2-[[(2R,4R)-4-hydroxy-4-phenylbutan-2-yl]amino]pyridine-4-carbonitrile
CID 125142292
2-[(7-cyanoisoquinolin-1-yl)amino]-3-hydroxypropanoic acid
CID 82570945
2-[(4-carbamoyl-2-pyridinyl)amino]pentanoic acid
CID 43631313
2-[(5-cyanopyridine-2-carbonyl)amino]butanoic acid
CID 55228672
2-(2-methylpropylamino)pyridine-4-carbonitrile
CID 24707878
ethyl (E)-4-[(4-cyano-2-pyridinyl)amino]-2-methylbut-2-enoate
CID 149061804

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyano-2-pyridinyl)amino]butanoic acid?
The IUPAC name of 2-[(4-cyano-2-pyridinyl)amino]butanoic acid (CID 43470148) is 2-[(4-cyano-2-pyridinyl)amino]butanoic acid.
What is the SMILES notation for 2-[(4-cyano-2-pyridinyl)amino]butanoic acid?
The canonical SMILES for 2-[(4-cyano-2-pyridinyl)amino]butanoic acid is CCC(Nc1cc(C#N)ccn1)C(=O)O.
What is the InChIKey of 2-[(4-cyano-2-pyridinyl)amino]butanoic acid?
The InChIKey is MMTFYTCNIMTDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-2-8(10(14)15)13-9-5-7(6-11)3-4-12-9/h3-5,8H,2H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-[(4-cyano-2-pyridinyl)amino]butanoic acid?
2-[(4-cyano-2-pyridinyl)amino]butanoic acid has a molecular weight of 205.22 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyano-2-pyridinyl)amino]butanoic acid is sourced from PubChem (CID 43470148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).