2-methyl-3-[methyl-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methylcarbamoyl]amino]propanoic acid

C17H26N4O3 — CID 122014778

IUPAC2-methyl-3-[methyl-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methylcarbamoyl]amino]propanoic acid
SMILESCc1cc(CNC(=O)N(C)CC(C)C(=O)O)cc(N2CCCC2)n1
InChIInChI=1S/C17H26N4O3/c1-12(16(22)23)11-20(3)17(24)18-10-14-8-13(2)19-15(9-14)21-6-4-5-7-21/h8-9,12H,4-7,10-11H2,1-3H3,(H,18,24)(H,22,23)
InChIKeyYHZKGFVRZVLVKF-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.85
Rot. Bonds6

About 2-methyl-3-[methyl-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methylcarbamoyl]amino]propanoic acid

2-methyl-3-[methyl-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methylcarbamoyl]amino]propanoic acid (PubChem CID 122014778) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methylcarbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methylcarbamoyl]amino]propanoic acid
PubChem CID122014778
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name2-methyl-3-[methyl-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methylcarbamoyl]amino]propanoic acid
SMILESCc1cc(CNC(=O)N(C)CC(C)C(=O)O)cc(N2CCCC2)n1
InChIInChI=1S/C17H26N4O3/c1-12(16(22)23)11-20(3)17(24)18-10-14-8-13(2)19-15(9-14)21-6-4-5-7-21/h8-9,12H,4-7,10-11H2,1-3H3,(H,18,24)(H,22,23)
InChIKeyYHZKGFVRZVLVKF-UHFFFAOYSA-N
XLogP1.85
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-3-[methyl-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methylcarbamoyl]amino]propanoic 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

2-methyl-3-[methyl-[(3-methylphenyl)methylcarbamoyl]amino]propanoic acid
CID 55007666
3-[(3-methoxy-5-methylphenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122007551
1-(2-hydroxypropyl)-1-methyl-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 84599317
1-N-[[2-(azetidin-1-yl)-6-methyl-4-pyridinyl]methyl]-2-N,2-N-diethylpropane-1,2-diamine
CID 134574562
2-methyl-4-(2-methylpropyl)-6-pyrrolidin-1-ylpyridine
CID 157425014
3-[(3-fluorophenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 55007271
2-methyl-3-[methyl-[1-(3-pyrrolidin-1-ylphenyl)ethylcarbamoyl]amino]propanoic acid
CID 122005980
2-methyl-3-[methyl-(2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-5-carbonyl)amino]propanoic acid
CID 122111450
[2-(azocan-1-yl)-6-methyl-4-pyridinyl]methanol
CID 113378723
N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide
CID 139004187
5-cyclopropyl-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-1H-pyrazole-3-carboxamide
CID 139003597
3-[(2-methoxy-4-pyridinyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 62994020

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methylcarbamoyl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methylcarbamoyl]amino]propanoic acid (CID 122014778) is 2-methyl-3-[methyl-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methylcarbamoyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methylcarbamoyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methylcarbamoyl]amino]propanoic acid is Cc1cc(CNC(=O)N(C)CC(C)C(=O)O)cc(N2CCCC2)n1.
What is the InChIKey of 2-methyl-3-[methyl-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methylcarbamoyl]amino]propanoic acid?
The InChIKey is YHZKGFVRZVLVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-12(16(22)23)11-20(3)17(24)18-10-14-8-13(2)19-15(9-14)21-6-4-5-7-21/h8-9,12H,4-7,10-11H2,1-3H3,(H,18,24)(H,22,23).
What are the key properties of 2-methyl-3-[methyl-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methylcarbamoyl]amino]propanoic acid?
2-methyl-3-[methyl-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methylcarbamoyl]amino]propanoic acid has a molecular weight of 334.42 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methylcarbamoyl]amino]propanoic acid is sourced from PubChem (CID 122014778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).