4-methyl-4-(pyridine-4-carbonylamino)pentanoic acid

C12H16N2O3 — CID 62043256

IUPAC4-methyl-4-(pyridine-4-carbonylamino)pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)c1ccncc1
InChIInChI=1S/C12H16N2O3/c1-12(2,6-3-10(15)16)14-11(17)9-4-7-13-8-5-9/h4-5,7-8H,3,6H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyZIVIPHKXXLWDIX-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.45
Rot. Bonds5

About 4-methyl-4-(pyridine-4-carbonylamino)pentanoic acid

4-methyl-4-(pyridine-4-carbonylamino)pentanoic acid (PubChem CID 62043256) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-methyl-4-(pyridine-4-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-(pyridine-4-carbonylamino)pentanoic acid
PubChem CID62043256
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name4-methyl-4-(pyridine-4-carbonylamino)pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)c1ccncc1
InChIInChI=1S/C12H16N2O3/c1-12(2,6-3-10(15)16)14-11(17)9-4-7-13-8-5-9/h4-5,7-8H,3,6H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyZIVIPHKXXLWDIX-UHFFFAOYSA-N
XLogP1.45
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-methyl-4-(pyridine-4-carbonylamino)pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[4-(hydroxymethyl)benzoyl]amino]-4-methylpentanoic acid
CID 62041548
4-[(4-imidazol-1-ylbenzoyl)amino]-4-methylpentanoic acid
CID 119357488
4-[[4-(dimethylamino)benzoyl]amino]-4-methylpentanoic acid
CID 62044369
4-[(4-acetamidobenzoyl)amino]-4-methylpentanoic acid
CID 62042412
4-methyl-4-[(4-pyrazol-1-ylbenzoyl)amino]pentanoic acid
CID 119203940
4-[(3,5-dimethylbenzoyl)amino]-4-methylpentanoic acid
CID 62041965
4-methyl-4-[[4-(methylsulfonylmethyl)benzoyl]amino]pentanoic acid
CID 119203601
4-methyl-4-[(4-propan-2-ylsulfonylbenzoyl)amino]pentanoic acid
CID 119203959
4-methyl-4-[[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]pentanoic acid
CID 119357421
4-[(3-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 62042184
4-[(3-bromobenzoyl)amino]-4-methylpentanoic acid
CID 62041752
4-methyl-4-(naphthalene-2-carbonylamino)pentanoic acid
CID 62041314

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(pyridine-4-carbonylamino)pentanoic acid?
The IUPAC name of 4-methyl-4-(pyridine-4-carbonylamino)pentanoic acid (CID 62043256) is 4-methyl-4-(pyridine-4-carbonylamino)pentanoic acid.
What is the SMILES notation for 4-methyl-4-(pyridine-4-carbonylamino)pentanoic acid?
The canonical SMILES for 4-methyl-4-(pyridine-4-carbonylamino)pentanoic acid is CC(C)(CCC(=O)O)NC(=O)c1ccncc1.
What is the InChIKey of 4-methyl-4-(pyridine-4-carbonylamino)pentanoic acid?
The InChIKey is ZIVIPHKXXLWDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-12(2,6-3-10(15)16)14-11(17)9-4-7-13-8-5-9/h4-5,7-8H,3,6H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 4-methyl-4-(pyridine-4-carbonylamino)pentanoic acid?
4-methyl-4-(pyridine-4-carbonylamino)pentanoic acid has a molecular weight of 236.27 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(pyridine-4-carbonylamino)pentanoic acid is sourced from PubChem (CID 62043256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).