2-[(1-carbamoylpiperidine-3-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid

C13H24N4O4 — CID 103802821

IUPAC2-[(1-carbamoylpiperidine-3-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid
SMILESCN(C)CCN(CC(=O)O)C(=O)C1CCCN(C(N)=O)C1
InChIInChI=1S/C13H24N4O4/c1-15(2)6-7-16(9-11(18)19)12(20)10-4-3-5-17(8-10)13(14)21/h10H,3-9H2,1-2H3,(H2,14,21)(H,18,19)
InChIKeyYTNJHRCYRDOJBJ-UHFFFAOYSA-N
MW300.36 g/mol
LogP-0.75
Rot. Bonds6

About 2-[(1-carbamoylpiperidine-3-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid

2-[(1-carbamoylpiperidine-3-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid (PubChem CID 103802821) has the molecular formula C13H24N4O4 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[(1-carbamoylpiperidine-3-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(1-carbamoylpiperidine-3-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid
PubChem CID103802821
Molecular FormulaC13H24N4O4
Molecular Weight300.36 g/mol
Exact Mass300.18
IUPAC Name2-[(1-carbamoylpiperidine-3-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid
SMILESCN(C)CCN(CC(=O)O)C(=O)C1CCCN(C(N)=O)C1
InChIInChI=1S/C13H24N4O4/c1-15(2)6-7-16(9-11(18)19)12(20)10-4-3-5-17(8-10)13(14)21/h10H,3-9H2,1-2H3,(H2,14,21)(H,18,19)
InChIKeyYTNJHRCYRDOJBJ-UHFFFAOYSA-N
XLogP-0.75
TPSA107.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-carbamoylpiperidine-3-carbonyl)-propylamino]acetic acid
CID 61007347
2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid
CID 61013155
2-[[1-(diethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid
CID 75383592
2-[[(2S)-butan-2-yl]-[(3R)-1-carbamoylpiperidine-3-carbonyl]amino]acetic acid
CID 129365613
2-[[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]-propylamino]acetic acid
CID 119205313
3-N-(2-hydroxyethyl)-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide
CID 103750590
2-[[(3R)-1-cycloheptyl-5-oxopyrrolidine-3-carbonyl]-[2-(dimethylamino)ethyl]amino]acetic acid
CID 125151592
2-[(3-carbamoylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 63066843
2-[cyclopropyl-[1-(diethylcarbamoyl)piperidine-3-carbonyl]amino]acetic acid
CID 75418047
3-N-(2-aminoethyl)-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 120885796
2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 119193357
2-[(3-ethoxycarbonylpiperidine-1-carbonyl)-ethylamino]acetic acid
CID 61188372

Frequently Asked Questions

What is the IUPAC name of 2-[(1-carbamoylpiperidine-3-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid?
The IUPAC name of 2-[(1-carbamoylpiperidine-3-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid (CID 103802821) is 2-[(1-carbamoylpiperidine-3-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[(1-carbamoylpiperidine-3-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid?
The canonical SMILES for 2-[(1-carbamoylpiperidine-3-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid is CN(C)CCN(CC(=O)O)C(=O)C1CCCN(C(N)=O)C1.
What is the InChIKey of 2-[(1-carbamoylpiperidine-3-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid?
The InChIKey is YTNJHRCYRDOJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O4/c1-15(2)6-7-16(9-11(18)19)12(20)10-4-3-5-17(8-10)13(14)21/h10H,3-9H2,1-2H3,(H2,14,21)(H,18,19).
What are the key properties of 2-[(1-carbamoylpiperidine-3-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid?
2-[(1-carbamoylpiperidine-3-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid has a molecular weight of 300.36 g/mol, XLogP of -0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-carbamoylpiperidine-3-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid is sourced from PubChem (CID 103802821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).