1-(prop-2-enoylamino)pyrrolidine-2-carboxylic acid

C8H12N2O3 — CID 152635743

IUPAC1-(prop-2-enoylamino)pyrrolidine-2-carboxylic acid
SMILESC=CC(=O)NN1CCCC1C(=O)O
InChIInChI=1S/C8H12N2O3/c1-2-7(11)9-10-5-3-4-6(10)8(12)13/h2,6H,1,3-5H2,(H,9,11)(H,12,13)
InChIKeyZEMNFRCISSPDPT-UHFFFAOYSA-N
MW184.19 g/mol
LogP-0.25
Rot. Bonds3

About 1-(prop-2-enoylamino)pyrrolidine-2-carboxylic acid

1-(prop-2-enoylamino)pyrrolidine-2-carboxylic acid (PubChem CID 152635743) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 1-(prop-2-enoylamino)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(prop-2-enoylamino)pyrrolidine-2-carboxylic acid
PubChem CID152635743
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name1-(prop-2-enoylamino)pyrrolidine-2-carboxylic acid
SMILESC=CC(=O)NN1CCCC1C(=O)O
InChIInChI=1S/C8H12N2O3/c1-2-7(11)9-10-5-3-4-6(10)8(12)13/h2,6H,1,3-5H2,(H,9,11)(H,12,13)
InChIKeyZEMNFRCISSPDPT-UHFFFAOYSA-N
XLogP-0.25
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Acetoamidoproline
CID 129723223
1-Acetamidopyrrolidine-2-carboxylic acid
CID 22178896
1-[(E)-4-amino-4-oxobut-2-enyl]pyrrolidine-2-carboxylic acid
CID 69407630
(2S)-1-(4-amino-4-oxobut-2-enyl)pyrrolidine-2-carboxylic acid
CID 69407633
1-(4-Amino-4-oxobut-2-enyl)pyrrolidine-2-carboxylic acid
CID 69407636
(2S)-2-methyl-1-(prop-2-enoylamino)pyrrolidine-2-carboxylic acid
CID 70553246
1-Carboxybutyl-dimethyl-(prop-2-enoylamino)azanium
CID 87572608
Amino-[4-carboxy-4-(prop-2-enoylamino)butyl]azanide;yttrium
CID 162519154
1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 43170885
(2S)-1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 61137971
(2R)-1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 78921900
5-(2-Aminohydrazinyl)-2-(prop-2-enoylamino)pentanoic acid
CID 162519150

Frequently Asked Questions

What is the IUPAC name of 1-(prop-2-enoylamino)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(prop-2-enoylamino)pyrrolidine-2-carboxylic acid (CID 152635743) is 1-(prop-2-enoylamino)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(prop-2-enoylamino)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(prop-2-enoylamino)pyrrolidine-2-carboxylic acid is C=CC(=O)NN1CCCC1C(=O)O.
What is the InChIKey of 1-(prop-2-enoylamino)pyrrolidine-2-carboxylic acid?
The InChIKey is ZEMNFRCISSPDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-2-7(11)9-10-5-3-4-6(10)8(12)13/h2,6H,1,3-5H2,(H,9,11)(H,12,13).
What are the key properties of 1-(prop-2-enoylamino)pyrrolidine-2-carboxylic acid?
1-(prop-2-enoylamino)pyrrolidine-2-carboxylic acid has a molecular weight of 184.19 g/mol, XLogP of -0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(prop-2-enoylamino)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 152635743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).