2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]butanedioic acid

C12H14N2O5 — CID 107147287

IUPAC2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]butanedioic acid
SMILESCc1cccnc1CC(=O)NC(CC(=O)O)C(=O)O
InChIInChI=1S/C12H14N2O5/c1-7-3-2-4-13-8(7)5-10(15)14-9(12(18)19)6-11(16)17/h2-4,9H,5-6H2,1H3,(H,14,15)(H,16,17)(H,18,19)
InChIKeyYPWDLEXXCOTGDV-UHFFFAOYSA-N
MW266.25 g/mol
LogP-0.02
Rot. Bonds6

About 2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]butanedioic acid

2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]butanedioic acid (PubChem CID 107147287) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is 2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]butanedioic acid.

Molecular Properties

Compound Name2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]butanedioic acid
PubChem CID107147287
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]butanedioic acid
SMILESCc1cccnc1CC(=O)NC(CC(=O)O)C(=O)O
InChIInChI=1S/C12H14N2O5/c1-7-3-2-4-13-8(7)5-10(15)14-9(12(18)19)6-11(16)17/h2-4,9H,5-6H2,1H3,(H,14,15)(H,16,17)(H,18,19)
InChIKeyYPWDLEXXCOTGDV-UHFFFAOYSA-N
XLogP-0.02
TPSA116.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(3-methyl-2-pyridinyl)acetyl]amino]butanoic acid
CID 107147106
2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]-4-methylsulfanylbutanoic acid
CID 107147066
5-methoxy-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]-5-oxopentanoic acid
CID 107147311
3-(1H-imidazol-5-yl)-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]propanoic acid
CID 107864180
2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]-2-phenylacetic acid
CID 107147088
methyl 4-methyl-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]pentanoate
CID 107148609
N-(1-aminopropan-2-yl)-2-(3-methyl-2-pyridinyl)acetamide
CID 107148434
N-methyl-2-(3-methyl-2-pyridinyl)acetamide
CID 13400651
N-[(2R)-1-hydroxybutan-2-yl]-2-(3-methyl-2-pyridinyl)acetamide
CID 107148274
3-methyl-2-[[[2-(3-methyl-2-pyridinyl)acetyl]amino]methyl]butanoic acid
CID 107147232
4-[[2-(3-methyl-2-pyridinyl)acetyl]amino]butanoic acid
CID 107147074
N-(2-hydroxybutyl)-2-(3-methyl-2-pyridinyl)acetamide
CID 107148270

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]butanedioic acid?
The IUPAC name of 2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]butanedioic acid (CID 107147287) is 2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]butanedioic acid.
What is the SMILES notation for 2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]butanedioic acid?
The canonical SMILES for 2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]butanedioic acid is Cc1cccnc1CC(=O)NC(CC(=O)O)C(=O)O.
What is the InChIKey of 2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]butanedioic acid?
The InChIKey is YPWDLEXXCOTGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5/c1-7-3-2-4-13-8(7)5-10(15)14-9(12(18)19)6-11(16)17/h2-4,9H,5-6H2,1H3,(H,14,15)(H,16,17)(H,18,19).
What are the key properties of 2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]butanedioic acid?
2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]butanedioic acid has a molecular weight of 266.25 g/mol, XLogP of -0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]butanedioic acid is sourced from PubChem (CID 107147287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).