2-methyl-2-[(1-methylpiperidin-3-yl)carbamoylamino]pentanoic acid

C13H25N3O3 — CID 61223431

IUPAC2-methyl-2-[(1-methylpiperidin-3-yl)carbamoylamino]pentanoic acid
SMILESCCCC(C)(NC(=O)NC1CCCN(C)C1)C(=O)O
InChIInChI=1S/C13H25N3O3/c1-4-7-13(2,11(17)18)15-12(19)14-10-6-5-8-16(3)9-10/h10H,4-9H2,1-3H3,(H,17,18)(H2,14,15,19)
InChIKeyQVOOAVSMBHAJIC-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.02
Rot. Bonds5

About 2-methyl-2-[(1-methylpiperidin-3-yl)carbamoylamino]pentanoic acid

2-methyl-2-[(1-methylpiperidin-3-yl)carbamoylamino]pentanoic acid (PubChem CID 61223431) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-methyl-2-[(1-methylpiperidin-3-yl)carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(1-methylpiperidin-3-yl)carbamoylamino]pentanoic acid
PubChem CID61223431
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name2-methyl-2-[(1-methylpiperidin-3-yl)carbamoylamino]pentanoic acid
SMILESCCCC(C)(NC(=O)NC1CCCN(C)C1)C(=O)O
InChIInChI=1S/C13H25N3O3/c1-4-7-13(2,11(17)18)15-12(19)14-10-6-5-8-16(3)9-10/h10H,4-9H2,1-3H3,(H,17,18)(H2,14,15,19)
InChIKeyQVOOAVSMBHAJIC-UHFFFAOYSA-N
XLogP1.02
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(1-methylpiperidin-3-yl)carbamoylamino]pentanoic acid?
The IUPAC name of 2-methyl-2-[(1-methylpiperidin-3-yl)carbamoylamino]pentanoic acid (CID 61223431) is 2-methyl-2-[(1-methylpiperidin-3-yl)carbamoylamino]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[(1-methylpiperidin-3-yl)carbamoylamino]pentanoic acid?
The canonical SMILES for 2-methyl-2-[(1-methylpiperidin-3-yl)carbamoylamino]pentanoic acid is CCCC(C)(NC(=O)NC1CCCN(C)C1)C(=O)O.
What is the InChIKey of 2-methyl-2-[(1-methylpiperidin-3-yl)carbamoylamino]pentanoic acid?
The InChIKey is QVOOAVSMBHAJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-4-7-13(2,11(17)18)15-12(19)14-10-6-5-8-16(3)9-10/h10H,4-9H2,1-3H3,(H,17,18)(H2,14,15,19).
What are the key properties of 2-methyl-2-[(1-methylpiperidin-3-yl)carbamoylamino]pentanoic acid?
2-methyl-2-[(1-methylpiperidin-3-yl)carbamoylamino]pentanoic acid has a molecular weight of 271.36 g/mol, XLogP of 1.02, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(1-methylpiperidin-3-yl)carbamoylamino]pentanoic acid is sourced from PubChem (CID 61223431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).