1-[2-(prop-2-enylamino)acetyl]pyrrolidine-3-carboxylic acid

C10H16N2O3 — CID 79278757

IUPAC1-[2-(prop-2-enylamino)acetyl]pyrrolidine-3-carboxylic acid
SMILESC=CCNCC(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C10H16N2O3/c1-2-4-11-6-9(13)12-5-3-8(7-12)10(14)15/h2,8,11H,1,3-7H2,(H,14,15)
InChIKeyZOMDMQUCWDYCOL-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.30
Rot. Bonds5

About 1-[2-(prop-2-enylamino)acetyl]pyrrolidine-3-carboxylic acid

1-[2-(prop-2-enylamino)acetyl]pyrrolidine-3-carboxylic acid (PubChem CID 79278757) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-[2-(prop-2-enylamino)acetyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(prop-2-enylamino)acetyl]pyrrolidine-3-carboxylic acid
PubChem CID79278757
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name1-[2-(prop-2-enylamino)acetyl]pyrrolidine-3-carboxylic acid
SMILESC=CCNCC(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C10H16N2O3/c1-2-4-11-6-9(13)12-5-3-8(7-12)10(14)15/h2,8,11H,1,3-7H2,(H,14,15)
InChIKeyZOMDMQUCWDYCOL-UHFFFAOYSA-N
XLogP-0.30
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-Oxo-2-(prop-2-enylamino)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 55227258
1-[1-Oxo-1-(prop-2-enylamino)propan-2-yl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63709630
1-[2-(Prop-2-enylamino)acetyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 79278023
(3S,4S)-1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120953930
1-{[(Propan-2-yl)carbamoyl]methyl}pyrrolidine-3-carboxylic acid
CID 17877874
1-[(Butylcarbamoyl)methyl]pyrrolidine-3-carboxylic acid
CID 19079851
1-[(Propylcarbamoyl)methyl]pyrrolidine-3-carboxylic acid
CID 22322508
1-[(Ethylcarbamoyl)methyl]pyrrolidine-3-carboxylic acid
CID 22322835
1-(2-Acetamidoethyl)pyrrolidine-3-carboxylic acid
CID 22322840
1-[1-Oxo-1-(propylamino)propan-2-yl]pyrrolidine-3-carboxylic acid
CID 22323010
1-[2-[3-Aminopropyl(butyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 23103419
1-[2-(2-Methylpropylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 53887036

Frequently Asked Questions

What is the IUPAC name of 1-[2-(prop-2-enylamino)acetyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(prop-2-enylamino)acetyl]pyrrolidine-3-carboxylic acid (CID 79278757) is 1-[2-(prop-2-enylamino)acetyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(prop-2-enylamino)acetyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(prop-2-enylamino)acetyl]pyrrolidine-3-carboxylic acid is C=CCNCC(=O)N1CCC(C(=O)O)C1.
What is the InChIKey of 1-[2-(prop-2-enylamino)acetyl]pyrrolidine-3-carboxylic acid?
The InChIKey is ZOMDMQUCWDYCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-2-4-11-6-9(13)12-5-3-8(7-12)10(14)15/h2,8,11H,1,3-7H2,(H,14,15).
What are the key properties of 1-[2-(prop-2-enylamino)acetyl]pyrrolidine-3-carboxylic acid?
1-[2-(prop-2-enylamino)acetyl]pyrrolidine-3-carboxylic acid has a molecular weight of 212.25 g/mol, XLogP of -0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(prop-2-enylamino)acetyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79278757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).