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

C10H14N2O4 — CID 61192351

IUPAC4-methoxy-1-(prop-2-ynylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESC#CCNC(=O)N1CC(OC)CC1C(=O)O
InChIInChI=1S/C10H14N2O4/c1-3-4-11-10(15)12-6-7(16-2)5-8(12)9(13)14/h1,7-8H,4-6H2,2H3,(H,11,15)(H,13,14)
InChIKeyQKWRJOZORSAPQR-UHFFFAOYSA-N
MW226.23 g/mol
LogP-0.50
Rot. Bonds3

About 4-methoxy-1-(prop-2-ynylcarbamoyl)pyrrolidine-2-carboxylic acid

4-methoxy-1-(prop-2-ynylcarbamoyl)pyrrolidine-2-carboxylic acid (PubChem CID 61192351) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 4-methoxy-1-(prop-2-ynylcarbamoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-1-(prop-2-ynylcarbamoyl)pyrrolidine-2-carboxylic acid
PubChem CID61192351
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name4-methoxy-1-(prop-2-ynylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESC#CCNC(=O)N1CC(OC)CC1C(=O)O
InChIInChI=1S/C10H14N2O4/c1-3-4-11-10(15)12-6-7(16-2)5-8(12)9(13)14/h1,7-8H,4-6H2,2H3,(H,11,15)(H,13,14)
InChIKeyQKWRJOZORSAPQR-UHFFFAOYSA-N
XLogP-0.50
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(carbamoylamino)ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 83113219
1-(cyclobutylmethylcarbamoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 61197043
4-methoxy-1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61206593
1-[2-[ethyl(methyl)amino]ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 55097642
4-methoxy-1-(piperidin-1-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 83019976
1-[3-(methanesulfonamido)propylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 106340335
4-methoxy-1-(3-methylpentan-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 114174500
1-[(4-chlorophenyl)methylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 61192553
1-(3-acetamidopropanoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 43359652
4-methoxy-1-[(5-methylthiophen-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 62057072
4-methoxy-1-(1,2-oxazol-5-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 106421059
(2S,4R)-4-[(2-methylpropan-2-yl)oxy]-1-[4-oxo-4-(prop-2-ynylamino)butanoyl]pyrrolidine-2-carboxylic acid
CID 155788478

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(prop-2-ynylcarbamoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-methoxy-1-(prop-2-ynylcarbamoyl)pyrrolidine-2-carboxylic acid (CID 61192351) is 4-methoxy-1-(prop-2-ynylcarbamoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-methoxy-1-(prop-2-ynylcarbamoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-methoxy-1-(prop-2-ynylcarbamoyl)pyrrolidine-2-carboxylic acid is C#CCNC(=O)N1CC(OC)CC1C(=O)O.
What is the InChIKey of 4-methoxy-1-(prop-2-ynylcarbamoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is QKWRJOZORSAPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-3-4-11-10(15)12-6-7(16-2)5-8(12)9(13)14/h1,7-8H,4-6H2,2H3,(H,11,15)(H,13,14).
What are the key properties of 4-methoxy-1-(prop-2-ynylcarbamoyl)pyrrolidine-2-carboxylic acid?
4-methoxy-1-(prop-2-ynylcarbamoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 226.23 g/mol, XLogP of -0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(prop-2-ynylcarbamoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61192351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).