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

C14H23N3O4 — CID 102736756

IUPAC2-[[4-(acetamidomethyl)piperidine-1-carbonyl]-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)N1CCC(CNC(C)=O)CC1
InChIInChI=1S/C14H23N3O4/c1-3-6-17(10-13(19)20)14(21)16-7-4-12(5-8-16)9-15-11(2)18/h3,12H,1,4-10H2,2H3,(H,15,18)(H,19,20)
InChIKeyWYLZXITYZRQTCY-UHFFFAOYSA-N
MW297.35 g/mol
LogP0.53
Rot. Bonds6

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

2-[[4-(acetamidomethyl)piperidine-1-carbonyl]-prop-2-enylamino]acetic acid (PubChem CID 102736756) has the molecular formula C14H23N3O4 and a molecular weight of 297.35 g/mol. Its IUPAC name is 2-[[4-(acetamidomethyl)piperidine-1-carbonyl]-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-(acetamidomethyl)piperidine-1-carbonyl]-prop-2-enylamino]acetic acid
PubChem CID102736756
Molecular FormulaC14H23N3O4
Molecular Weight297.35 g/mol
Exact Mass297.17
IUPAC Name2-[[4-(acetamidomethyl)piperidine-1-carbonyl]-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)N1CCC(CNC(C)=O)CC1
InChIInChI=1S/C14H23N3O4/c1-3-6-17(10-13(19)20)14(21)16-7-4-12(5-8-16)9-15-11(2)18/h3,12H,1,4-10H2,2H3,(H,15,18)(H,19,20)
InChIKeyWYLZXITYZRQTCY-UHFFFAOYSA-N
XLogP0.53
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-(dimethylamino)piperidine-1-carbonyl]-prop-2-enylamino]acetic acid
CID 79275611
2-[morpholine-4-carbonyl(prop-2-enyl)amino]acetic acid
CID 79262594
3-[4-(acetamidomethyl)piperidin-1-yl]-3-oxopropanoic acid
CID 102736982
N-[(1-prop-2-enylpiperidin-4-yl)methyl]acetamide
CID 51116338
2-[prop-2-enyl-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]acetic acid
CID 79284954
2-[(1-methylpiperidin-3-yl)methylcarbamoyl-prop-2-enylamino]acetic acid
CID 79277227
2-[(2,6-dimethylmorpholine-4-carbonyl)-prop-2-enylamino]acetic acid
CID 79275838
2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)-prop-2-enylamino]acetic acid
CID 79277475
N-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]methyl]acetamide
CID 66567593
2-[ethyl-[4-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid
CID 61195912
2-[(5-oxo-1,4-diazepane-1-carbonyl)-prop-2-enylamino]acetic acid
CID 79286262
N-[[1-(4-methylpiperidine-1-carbonyl)piperidin-4-yl]methyl]acetamide
CID 102736162

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(acetamidomethyl)piperidine-1-carbonyl]-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[[4-(acetamidomethyl)piperidine-1-carbonyl]-prop-2-enylamino]acetic acid (CID 102736756) is 2-[[4-(acetamidomethyl)piperidine-1-carbonyl]-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[[4-(acetamidomethyl)piperidine-1-carbonyl]-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[[4-(acetamidomethyl)piperidine-1-carbonyl]-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)C(=O)N1CCC(CNC(C)=O)CC1.
What is the InChIKey of 2-[[4-(acetamidomethyl)piperidine-1-carbonyl]-prop-2-enylamino]acetic acid?
The InChIKey is WYLZXITYZRQTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-3-6-17(10-13(19)20)14(21)16-7-4-12(5-8-16)9-15-11(2)18/h3,12H,1,4-10H2,2H3,(H,15,18)(H,19,20).
What are the key properties of 2-[[4-(acetamidomethyl)piperidine-1-carbonyl]-prop-2-enylamino]acetic acid?
2-[[4-(acetamidomethyl)piperidine-1-carbonyl]-prop-2-enylamino]acetic acid has a molecular weight of 297.35 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(acetamidomethyl)piperidine-1-carbonyl]-prop-2-enylamino]acetic acid is sourced from PubChem (CID 102736756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).