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

C9H14N2O3 — CID 61193747

IUPAC1-(prop-2-enylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESC=CCNC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C9H14N2O3/c1-2-5-10-9(14)11-6-3-4-7(11)8(12)13/h2,7H,1,3-6H2,(H,10,14)(H,12,13)
InChIKeyKMMGJVCDSYWNPN-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.43
Rot. Bonds3

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

1-(prop-2-enylcarbamoyl)pyrrolidine-2-carboxylic acid (PubChem CID 61193747) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 1-(prop-2-enylcarbamoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(prop-2-enylcarbamoyl)pyrrolidine-2-carboxylic acid
PubChem CID61193747
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name1-(prop-2-enylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESC=CCNC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C9H14N2O3/c1-2-5-10-9(14)11-6-3-4-7(11)8(12)13/h2,7H,1,3-6H2,(H,10,14)(H,12,13)
InChIKeyKMMGJVCDSYWNPN-UHFFFAOYSA-N
XLogP0.43
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.43
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-[2-(dimethylamino)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61188498
1-(prop-2-ynylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61192237
(2S)-1-(ethylcarbamoyl)piperidine-2-carboxylic acid
CID 66264798
(2S)-1-[2-(diethylamino)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78967793
(2R)-1-[2-(diethylamino)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 55149866
(2R)-1-pent-4-enoylpyrrolidine-2-carboxylic acid
CID 58070890
1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 79350073
1-(pentylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61183075
(2R)-1-[[2-(ethylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 55151526
(2S)-1-(3-methylbutylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 28510076
(2S)-1-[2-[ethyl(methyl)amino]ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 55097694
(2R)-1-[4-(dimethylamino)butylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922567

Frequently Asked Questions

What is the IUPAC name of 1-(prop-2-enylcarbamoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(prop-2-enylcarbamoyl)pyrrolidine-2-carboxylic acid (CID 61193747) is 1-(prop-2-enylcarbamoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(prop-2-enylcarbamoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(prop-2-enylcarbamoyl)pyrrolidine-2-carboxylic acid is C=CCNC(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-(prop-2-enylcarbamoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is KMMGJVCDSYWNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-2-5-10-9(14)11-6-3-4-7(11)8(12)13/h2,7H,1,3-6H2,(H,10,14)(H,12,13).
What are the key properties of 1-(prop-2-enylcarbamoyl)pyrrolidine-2-carboxylic acid?
1-(prop-2-enylcarbamoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 198.22 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(prop-2-enylcarbamoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61193747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).