2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-prop-2-enylamino]acetic acid

C13H22N2O4 — CID 79285121

IUPAC2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)N1CCCC1CCCO
InChIInChI=1S/C13H22N2O4/c1-2-7-14(10-12(17)18)13(19)15-8-3-5-11(15)6-4-9-16/h2,11,16H,1,3-10H2,(H,17,18)
InChIKeyLEZMVLYZLDFLOF-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.92
Rot. Bonds7

About 2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-prop-2-enylamino]acetic acid

2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-prop-2-enylamino]acetic acid (PubChem CID 79285121) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-prop-2-enylamino]acetic acid
PubChem CID79285121
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)N1CCCC1CCCO
InChIInChI=1S/C13H22N2O4/c1-2-7-14(10-12(17)18)13(19)15-8-3-5-11(15)6-4-9-16/h2,11,16H,1,3-10H2,(H,17,18)
InChIKeyLEZMVLYZLDFLOF-UHFFFAOYSA-N
XLogP0.92
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.92
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-[(2-methoxycarbonylpyrrolidine-1-carbonyl)-prop-2-enylamino]acetic acid
CID 79277475
2-[1-[bis(prop-2-enyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61193412
1-[(2S)-2-(3-hydroxypropyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 167912648
2-[(2-amino-2-oxoethyl)-[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]acetic acid
CID 107437737
3-[cyclopropyl-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 62478683
2-[propyl-(2-propylpiperidine-1-carbonyl)amino]acetic acid
CID 83055974
2-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]sulfanylacetic acid
CID 104569851
2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-methylamino]butanoic acid
CID 62479586
2-[[4-(dimethylamino)piperidine-1-carbonyl]-prop-2-enylamino]acetic acid
CID 79275611
2-[piperidin-1-ylcarbamoyl(prop-2-enyl)amino]acetic acid
CID 83019737
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 62469314
2-[cyclopropylmethyl-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]acetic acid
CID 62889383

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-prop-2-enylamino]acetic acid (CID 79285121) is 2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)C(=O)N1CCCC1CCCO.
What is the InChIKey of 2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-prop-2-enylamino]acetic acid?
The InChIKey is LEZMVLYZLDFLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-2-7-14(10-12(17)18)13(19)15-8-3-5-11(15)6-4-9-16/h2,11,16H,1,3-10H2,(H,17,18).
What are the key properties of 2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-prop-2-enylamino]acetic acid?
2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-prop-2-enylamino]acetic acid has a molecular weight of 270.33 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-prop-2-enylamino]acetic acid is sourced from PubChem (CID 79285121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).