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

C9H12N2O3 — CID 61192237

IUPAC1-(prop-2-ynylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESC#CCNC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C9H12N2O3/c1-2-5-10-9(14)11-6-3-4-7(11)8(12)13/h1,7H,3-6H2,(H,10,14)(H,12,13)
InChIKeyMOLLVTVPKWLFEZ-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.12
Rot. Bonds2

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

1-(prop-2-ynylcarbamoyl)pyrrolidine-2-carboxylic acid (PubChem CID 61192237) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 1-(prop-2-ynylcarbamoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(prop-2-ynylcarbamoyl)pyrrolidine-2-carboxylic acid
PubChem CID61192237
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name1-(prop-2-ynylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESC#CCNC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C9H12N2O3/c1-2-5-10-9(14)11-6-3-4-7(11)8(12)13/h1,7H,3-6H2,(H,10,14)(H,12,13)
InChIKeyMOLLVTVPKWLFEZ-UHFFFAOYSA-N
XLogP-0.12
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(prop-2-ynylcarbamoyl)azepane-2-carboxylic acid
CID 64563682
2-methyl-N-prop-2-ynylpyrrolidine-1-carboxamide
CID 130614788
(2S)-1-(ethylcarbamoyl)piperidine-2-carboxylic acid
CID 66264798
1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 79350073
(2R)-1-[[2-(ethylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 55151526
1-(pentylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61183075
1-[2-(dimethylamino)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61188498
(2S)-1-(3-methylbutylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 28510076
(2R)-1-(pent-1-yn-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 106232078
1-(prop-2-enylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61193747
1-[3-(methylamino)propylcarbamoyl]piperidine-2-carboxylic acid
CID 61404205
(2R)-1-(2-cyclopropylpropylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 104863962

Frequently Asked Questions

What is the IUPAC name of 1-(prop-2-ynylcarbamoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(prop-2-ynylcarbamoyl)pyrrolidine-2-carboxylic acid (CID 61192237) is 1-(prop-2-ynylcarbamoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(prop-2-ynylcarbamoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(prop-2-ynylcarbamoyl)pyrrolidine-2-carboxylic acid is C#CCNC(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-(prop-2-ynylcarbamoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is MOLLVTVPKWLFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-2-5-10-9(14)11-6-3-4-7(11)8(12)13/h1,7H,3-6H2,(H,10,14)(H,12,13).
What are the key properties of 1-(prop-2-ynylcarbamoyl)pyrrolidine-2-carboxylic acid?
1-(prop-2-ynylcarbamoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 196.21 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(prop-2-ynylcarbamoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61192237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).