3-acetamidopyrrolidine-1-carboxylic acid

C7H12N2O3 — CID 22061271

IUPAC3-acetamidopyrrolidine-1-carboxylic acid
SMILESCC(=O)NC1CCN(C(=O)O)C1
InChIInChI=1S/C7H12N2O3/c1-5(10)8-6-2-3-9(4-6)7(11)12/h6H,2-4H2,1H3,(H,8,10)(H,11,12)
InChIKeyFIVDQWOVTWZWSS-UHFFFAOYSA-N
MW172.18 g/mol
LogP-0.13
Rot. Bonds1

About 3-acetamidopyrrolidine-1-carboxylic acid

3-acetamidopyrrolidine-1-carboxylic acid (PubChem CID 22061271) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is 3-acetamidopyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-acetamidopyrrolidine-1-carboxylic acid
PubChem CID22061271
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name3-acetamidopyrrolidine-1-carboxylic acid
SMILESCC(=O)NC1CCN(C(=O)O)C1
InChIInChI=1S/C7H12N2O3/c1-5(10)8-6-2-3-9(4-6)7(11)12/h6H,2-4H2,1H3,(H,8,10)(H,11,12)
InChIKeyFIVDQWOVTWZWSS-UHFFFAOYSA-N
XLogP-0.13
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-acetylpyrrolidin-3-yl)acetamide
CID 21285269
N-(1-acetylpiperidin-4-yl)acetamide
CID 23402928
(3S)-3-[[(2S)-2-aminopropanoyl]amino]pyrrolidine-1-carboxylic acid
CID 70098972
N-[1-(2-chloroprop-2-enoyl)pyrrolidin-3-yl]acetamide
CID 130826306
(3S)-3-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carboxylic acid
CID 87679206
(3S)-3-[(2-chloroacetyl)amino]pyrrolidine-1-carboxylic acid
CID 126666154
propan-2-yl 3-acetamidopyrrolidine-1-carboxylate
CID 77434024
5-(3-acetamidopyrrolidine-1-carbonyl)oxolane-2-carboxylic acid
CID 102688903
(2S)-1-(3-acetamidopyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 113402525
N-[1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-3-yl]acetamide
CID 66567654
N-[1-(2-amino-3-methylbutanoyl)pyrrolidin-3-yl]acetamide
CID 77144242
3-[(3-acetamidopyrrolidine-1-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 113402528

Frequently Asked Questions

What is the IUPAC name of 3-acetamidopyrrolidine-1-carboxylic acid?
The IUPAC name of 3-acetamidopyrrolidine-1-carboxylic acid (CID 22061271) is 3-acetamidopyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-acetamidopyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-acetamidopyrrolidine-1-carboxylic acid is CC(=O)NC1CCN(C(=O)O)C1.
What is the InChIKey of 3-acetamidopyrrolidine-1-carboxylic acid?
The InChIKey is FIVDQWOVTWZWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c1-5(10)8-6-2-3-9(4-6)7(11)12/h6H,2-4H2,1H3,(H,8,10)(H,11,12).
What are the key properties of 3-acetamidopyrrolidine-1-carboxylic acid?
3-acetamidopyrrolidine-1-carboxylic acid has a molecular weight of 172.18 g/mol, XLogP of -0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamidopyrrolidine-1-carboxylic acid is sourced from PubChem (CID 22061271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).