2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid

C14H25N3O4 — CID 61013155

IUPAC2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)C1CCCN(C(=O)N(C)C)C1
InChIInChI=1S/C14H25N3O4/c1-4-7-16(10-12(18)19)13(20)11-6-5-8-17(9-11)14(21)15(2)3/h11H,4-10H2,1-3H3,(H,18,19)
InChIKeyAAVQUHXWKYMUBR-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.70
Rot. Bonds5

About 2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid

2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid (PubChem CID 61013155) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid
PubChem CID61013155
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)C1CCCN(C(=O)N(C)C)C1
InChIInChI=1S/C14H25N3O4/c1-4-7-16(10-12(18)19)13(20)11-6-5-8-17(9-11)14(21)15(2)3/h11H,4-10H2,1-3H3,(H,18,19)
InChIKeyAAVQUHXWKYMUBR-UHFFFAOYSA-N
XLogP0.70
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(diethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid
CID 75383592
2-[(1-carbamoylpiperidine-3-carbonyl)-propylamino]acetic acid
CID 61007347
2-[[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]-propylamino]acetic acid
CID 119205313
3-N,3-N-bis(2-hydroxyethyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 61233623
3-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]-methylamino]propanoic acid
CID 60988420
(3R)-1-(dipropylcarbamoyl)piperidine-3-carboxylic acid
CID 28512445
2-[cyclopentanecarbonyl(propyl)amino]acetic acid
CID 61011527
2-[(1-carbamoylpiperidine-3-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 103802821
3-N-(2-hydroxyethyl)-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide
CID 60778381
2-[(3-piperidin-1-ylpyrrolidine-1-carbonyl)-propylamino]acetic acid
CID 63548318
2-[cyclopropyl-[1-(diethylcarbamoyl)piperidine-3-carbonyl]amino]acetic acid
CID 75418047
2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 119193357

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid?
The IUPAC name of 2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid (CID 61013155) is 2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid.
What is the SMILES notation for 2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid?
The canonical SMILES for 2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)C1CCCN(C(=O)N(C)C)C1.
What is the InChIKey of 2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid?
The InChIKey is AAVQUHXWKYMUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-4-7-16(10-12(18)19)13(20)11-6-5-8-17(9-11)14(21)15(2)3/h11H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid?
2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid has a molecular weight of 299.37 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid is sourced from PubChem (CID 61013155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).