2-[5-[(2-acetamido-3-methylbutanoyl)amino]-2-pyridinyl]acetic acid

C14H19N3O4 — CID 107339173

IUPAC2-[5-[(2-acetamido-3-methylbutanoyl)amino]-2-pyridinyl]acetic acid
SMILESCC(=O)NC(C(=O)Nc1ccc(CC(=O)O)nc1)C(C)C
InChIInChI=1S/C14H19N3O4/c1-8(2)13(16-9(3)18)14(21)17-11-5-4-10(15-7-11)6-12(19)20/h4-5,7-8,13H,6H2,1-3H3,(H,16,18)(H,17,21)(H,19,20)
InChIKeySMKYBCLOPDKIMI-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.81
Rot. Bonds6

About 2-[5-[(2-acetamido-3-methylbutanoyl)amino]-2-pyridinyl]acetic acid

2-[5-[(2-acetamido-3-methylbutanoyl)amino]-2-pyridinyl]acetic acid (PubChem CID 107339173) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[5-[(2-acetamido-3-methylbutanoyl)amino]-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-[(2-acetamido-3-methylbutanoyl)amino]-2-pyridinyl]acetic acid
PubChem CID107339173
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-[5-[(2-acetamido-3-methylbutanoyl)amino]-2-pyridinyl]acetic acid
SMILESCC(=O)NC(C(=O)Nc1ccc(CC(=O)O)nc1)C(C)C
InChIInChI=1S/C14H19N3O4/c1-8(2)13(16-9(3)18)14(21)17-11-5-4-10(15-7-11)6-12(19)20/h4-5,7-8,13H,6H2,1-3H3,(H,16,18)(H,17,21)(H,19,20)
InChIKeySMKYBCLOPDKIMI-UHFFFAOYSA-N
XLogP0.81
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(2-methoxypropanoylamino)-2-pyridinyl]acetic acid
CID 107339238
2-[5-(2-aminopropanoylamino)-2-pyridinyl]acetic acid
CID 107341028
2-acetamido-3-methyl-N-(6-piperidin-1-yl-3-pyridinyl)butanamide
CID 18143999
2-[5-(carbamoylamino)-2-pyridinyl]acetic acid
CID 107339512
2-[5-[[(2R)-2-amino-2-phenylacetyl]amino]-2-pyridinyl]acetic acid
CID 107341049
2-[5-[2-(dimethylamino)propylcarbamoylamino]-2-pyridinyl]acetic acid
CID 107340627
2-[5-(dimethylcarbamoylamino)-2-pyridinyl]acetic acid
CID 107339518
2-acetamido-N-(4-bromophenyl)-3-methylbutanamide
CID 17391080
(2S)-2-acetamido-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-methylbutanamide
CID 31908169
2-[5-(2-aminopent-4-ynoylamino)-2-pyridinyl]acetic acid
CID 107341014
2-[5-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2-pyridinyl]acetic acid
CID 107340505
2-[5-(ethoxycarbonylamino)-2-pyridinyl]acetic acid
CID 107339556

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-acetamido-3-methylbutanoyl)amino]-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-[(2-acetamido-3-methylbutanoyl)amino]-2-pyridinyl]acetic acid (CID 107339173) is 2-[5-[(2-acetamido-3-methylbutanoyl)amino]-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-[(2-acetamido-3-methylbutanoyl)amino]-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-[(2-acetamido-3-methylbutanoyl)amino]-2-pyridinyl]acetic acid is CC(=O)NC(C(=O)Nc1ccc(CC(=O)O)nc1)C(C)C.
What is the InChIKey of 2-[5-[(2-acetamido-3-methylbutanoyl)amino]-2-pyridinyl]acetic acid?
The InChIKey is SMKYBCLOPDKIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-8(2)13(16-9(3)18)14(21)17-11-5-4-10(15-7-11)6-12(19)20/h4-5,7-8,13H,6H2,1-3H3,(H,16,18)(H,17,21)(H,19,20).
What are the key properties of 2-[5-[(2-acetamido-3-methylbutanoyl)amino]-2-pyridinyl]acetic acid?
2-[5-[(2-acetamido-3-methylbutanoyl)amino]-2-pyridinyl]acetic acid has a molecular weight of 293.32 g/mol, XLogP of 0.81, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-acetamido-3-methylbutanoyl)amino]-2-pyridinyl]acetic acid is sourced from PubChem (CID 107339173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).