2-[1-(prop-2-enylcarbamoyl)pyrrolidin-2-yl]acetic acid

C10H16N2O3 — CID 61372720

IUPAC2-[1-(prop-2-enylcarbamoyl)pyrrolidin-2-yl]acetic acid
SMILESC=CCNC(=O)N1CCCC1CC(=O)O
InChIInChI=1S/C10H16N2O3/c1-2-5-11-10(15)12-6-3-4-8(12)7-9(13)14/h2,8H,1,3-7H2,(H,11,15)(H,13,14)
InChIKeyMIFBIQYGTMIPNF-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.82
Rot. Bonds4

About 2-[1-(prop-2-enylcarbamoyl)pyrrolidin-2-yl]acetic acid

2-[1-(prop-2-enylcarbamoyl)pyrrolidin-2-yl]acetic acid (PubChem CID 61372720) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-[1-(prop-2-enylcarbamoyl)pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(prop-2-enylcarbamoyl)pyrrolidin-2-yl]acetic acid
PubChem CID61372720
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name2-[1-(prop-2-enylcarbamoyl)pyrrolidin-2-yl]acetic acid
SMILESC=CCNC(=O)N1CCCC1CC(=O)O
InChIInChI=1S/C10H16N2O3/c1-2-5-11-10(15)12-6-3-4-8(12)7-9(13)14/h2,8H,1,3-7H2,(H,11,15)(H,13,14)
InChIKeyMIFBIQYGTMIPNF-UHFFFAOYSA-N
XLogP0.82
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(prop-2-enylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61193747
2-[1-[(2-methoxy-2-oxoethyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 61371746
2-[1-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 114137800
2-[1-[3-(methylamino)propylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 61404883
2-[1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 79350157
2-[1-(2-methylprop-2-enylcarbamoyl)piperidin-2-yl]acetic acid
CID 114618094
2-[1-[2-(dimethylcarbamoylamino)ethylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 83114337
2-[1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 62978547
2-[1-[2-[di(propan-2-yl)amino]ethylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 61372331
2-[1-(cyclobutylmethylcarbamoyl)piperidin-2-yl]acetic acid
CID 61197423
2-[1-(pent-4-en-2-ylcarbamoyl)piperidin-2-yl]acetic acid
CID 113466834
2-[1-(2-cyclohexylethylcarbamoyl)piperidin-2-yl]acetic acid
CID 61206283

Frequently Asked Questions

What is the IUPAC name of 2-[1-(prop-2-enylcarbamoyl)pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(prop-2-enylcarbamoyl)pyrrolidin-2-yl]acetic acid (CID 61372720) is 2-[1-(prop-2-enylcarbamoyl)pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(prop-2-enylcarbamoyl)pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(prop-2-enylcarbamoyl)pyrrolidin-2-yl]acetic acid is C=CCNC(=O)N1CCCC1CC(=O)O.
What is the InChIKey of 2-[1-(prop-2-enylcarbamoyl)pyrrolidin-2-yl]acetic acid?
The InChIKey is MIFBIQYGTMIPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-2-5-11-10(15)12-6-3-4-8(12)7-9(13)14/h2,8H,1,3-7H2,(H,11,15)(H,13,14).
What are the key properties of 2-[1-(prop-2-enylcarbamoyl)pyrrolidin-2-yl]acetic acid?
2-[1-(prop-2-enylcarbamoyl)pyrrolidin-2-yl]acetic acid has a molecular weight of 212.25 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(prop-2-enylcarbamoyl)pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 61372720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).