1-acetamidopyrrolidine-2-carboxylic acid

C7H12N2O3 — CID 22178896

IUPAC1-acetamidopyrrolidine-2-carboxylic acid
SMILESCC(=O)NN1CCCC1C(=O)O
InChIInChI=1S/C7H12N2O3/c1-5(10)8-9-4-2-3-6(9)7(11)12/h6H,2-4H2,1H3,(H,8,10)(H,11,12)
InChIKeyCEXCQBRJNAQWHU-UHFFFAOYSA-N
MW172.18 g/mol
LogP-0.41
Rot. Bonds2

About 1-acetamidopyrrolidine-2-carboxylic acid

1-acetamidopyrrolidine-2-carboxylic acid (PubChem CID 22178896) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is 1-acetamidopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-acetamidopyrrolidine-2-carboxylic acid
PubChem CID22178896
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name1-acetamidopyrrolidine-2-carboxylic acid
SMILESCC(=O)NN1CCCC1C(=O)O
InChIInChI=1S/C7H12N2O3/c1-5(10)8-9-4-2-3-6(9)7(11)12/h6H,2-4H2,1H3,(H,8,10)(H,11,12)
InChIKeyCEXCQBRJNAQWHU-UHFFFAOYSA-N
XLogP-0.41
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Aminopyrrolidine-2-carboxylic acid
CID 273022
Linatine
CID 160920
D-Proline, 1-amino-
CID 2737005
Linatine, (S,S)-
CID 202334
Aminoproline
CID 97357
gamma-Glutamyl-1-amino-D-proline
CID 5153860
Aminopyroglutamic acid
CID 56614584
Glycinoproline
CID 67493726
Amino ethyl glutamine
CID 87997605
Dimethylaminoproline
CID 91124260
(2S)-1-(carbamoylamino)pyrrolidine-2-carboxylic acid
CID 91470401
Acetoamidoproline
CID 129723223

Frequently Asked Questions

What is the IUPAC name of 1-acetamidopyrrolidine-2-carboxylic acid?
The IUPAC name of 1-acetamidopyrrolidine-2-carboxylic acid (CID 22178896) is 1-acetamidopyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-acetamidopyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-acetamidopyrrolidine-2-carboxylic acid is CC(=O)NN1CCCC1C(=O)O.
What is the InChIKey of 1-acetamidopyrrolidine-2-carboxylic acid?
The InChIKey is CEXCQBRJNAQWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c1-5(10)8-9-4-2-3-6(9)7(11)12/h6H,2-4H2,1H3,(H,8,10)(H,11,12).
What are the key properties of 1-acetamidopyrrolidine-2-carboxylic acid?
1-acetamidopyrrolidine-2-carboxylic acid has a molecular weight of 172.18 g/mol, XLogP of -0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetamidopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 22178896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).