2-[[4-(dimethylamino)piperidine-1-carbonyl]-prop-2-enylamino]acetic acid

C13H23N3O3 — CID 79275611

IUPAC2-[[4-(dimethylamino)piperidine-1-carbonyl]-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)N1CCC(N(C)C)CC1
InChIInChI=1S/C13H23N3O3/c1-4-7-16(10-12(17)18)13(19)15-8-5-11(6-9-15)14(2)3/h4,11H,1,5-10H2,2-3H3,(H,17,18)
InChIKeyTVOUJHKGWMHRBR-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.70
Rot. Bonds5

About 2-[[4-(dimethylamino)piperidine-1-carbonyl]-prop-2-enylamino]acetic acid

2-[[4-(dimethylamino)piperidine-1-carbonyl]-prop-2-enylamino]acetic acid (PubChem CID 79275611) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[[4-(dimethylamino)piperidine-1-carbonyl]-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-(dimethylamino)piperidine-1-carbonyl]-prop-2-enylamino]acetic acid
PubChem CID79275611
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name2-[[4-(dimethylamino)piperidine-1-carbonyl]-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)N1CCC(N(C)C)CC1
InChIInChI=1S/C13H23N3O3/c1-4-7-16(10-12(17)18)13(19)15-8-5-11(6-9-15)14(2)3/h4,11H,1,5-10H2,2-3H3,(H,17,18)
InChIKeyTVOUJHKGWMHRBR-UHFFFAOYSA-N
XLogP0.70
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(acetamidomethyl)piperidine-1-carbonyl]-prop-2-enylamino]acetic acid
CID 102736756
2-[morpholine-4-carbonyl(prop-2-enyl)amino]acetic acid
CID 79262594
2-[prop-2-enyl-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]acetic acid
CID 79284954
2-[(2,6-dimethylmorpholine-4-carbonyl)-prop-2-enylamino]acetic acid
CID 79275838
2-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-prop-2-enylamino]acetic acid
CID 79285230
2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 63548304
2-[(5-oxo-1,4-diazepane-1-carbonyl)-prop-2-enylamino]acetic acid
CID 79286262
2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]-prop-2-ynylamino]acetic acid
CID 79284058
2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)-prop-2-enylamino]acetic acid
CID 79277475
2-[prop-2-enyl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]acetic acid
CID 114490421
4-(dimethylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 110470375
2-[ethyl-(4-hydroxypiperidine-1-carbonyl)amino]acetic acid
CID 61190974

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dimethylamino)piperidine-1-carbonyl]-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[[4-(dimethylamino)piperidine-1-carbonyl]-prop-2-enylamino]acetic acid (CID 79275611) is 2-[[4-(dimethylamino)piperidine-1-carbonyl]-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[[4-(dimethylamino)piperidine-1-carbonyl]-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[[4-(dimethylamino)piperidine-1-carbonyl]-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)C(=O)N1CCC(N(C)C)CC1.
What is the InChIKey of 2-[[4-(dimethylamino)piperidine-1-carbonyl]-prop-2-enylamino]acetic acid?
The InChIKey is TVOUJHKGWMHRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-4-7-16(10-12(17)18)13(19)15-8-5-11(6-9-15)14(2)3/h4,11H,1,5-10H2,2-3H3,(H,17,18).
What are the key properties of 2-[[4-(dimethylamino)piperidine-1-carbonyl]-prop-2-enylamino]acetic acid?
2-[[4-(dimethylamino)piperidine-1-carbonyl]-prop-2-enylamino]acetic acid has a molecular weight of 269.34 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-[[4-(dimethylamino)piperidine-1-carbonyl]-prop-2-enylamino]acetic acid is sourced from PubChem (CID 79275611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).