(2S)-1-(3-acetamidopyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid

C12H19N3O4 — CID 113402525

IUPAC(2S)-1-(3-acetamidopyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC(=O)NC1CCN(C(=O)N2CCC[C@H]2C(=O)O)C1
InChIInChI=1S/C12H19N3O4/c1-8(16)13-9-4-6-14(7-9)12(19)15-5-2-3-10(15)11(17)18/h9-10H,2-7H2,1H3,(H,13,16)(H,17,18)/t9?,10-/m0/s1
InChIKeyKRANQDQBVFBOHN-AXDSSHIGSA-N
MW269.30 g/mol
LogP-0.13
Rot. Bonds2

About (2S)-1-(3-acetamidopyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid

(2S)-1-(3-acetamidopyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 113402525) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is (2S)-1-(3-acetamidopyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(3-acetamidopyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID113402525
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name(2S)-1-(3-acetamidopyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC(=O)NC1CCN(C(=O)N2CCC[C@H]2C(=O)O)C1
InChIInChI=1S/C12H19N3O4/c1-8(16)13-9-4-6-14(7-9)12(19)15-5-2-3-10(15)11(17)18/h9-10H,2-7H2,1H3,(H,13,16)(H,17,18)/t9?,10-/m0/s1
InChIKeyKRANQDQBVFBOHN-AXDSSHIGSA-N
XLogP-0.13
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamidopyrrolidine-1-carboxylic acid
CID 22061271
N-(1-acetylpyrrolidin-3-yl)acetamide
CID 21285269
(2S)-1-(pyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 28509820
1-(4-methylazepane-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 63627584
(2R)-1-(4-methoxycarbonylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 78923051
1-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 61408512
(2S)-1-(3-methoxy-4-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 102962553
1-(3-methoxycarbonylpiperidine-1-carbonyl)piperidine-2-carboxylic acid
CID 115535285
(2R)-1-(4-methoxypiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 78922853
(2S)-1-(4-ethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61421804
(2R)-1-(1-oxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 78922708
(2R)-1-[3-(methoxymethyl)piperidine-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 106588061

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3-acetamidopyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(3-acetamidopyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid (CID 113402525) is (2S)-1-(3-acetamidopyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(3-acetamidopyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(3-acetamidopyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid is CC(=O)NC1CCN(C(=O)N2CCC[C@H]2C(=O)O)C1.
What is the InChIKey of (2S)-1-(3-acetamidopyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is KRANQDQBVFBOHN-AXDSSHIGSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-8(16)13-9-4-6-14(7-9)12(19)15-5-2-3-10(15)11(17)18/h9-10H,2-7H2,1H3,(H,13,16)(H,17,18)/t9?,10-/m0/s1.
What are the key properties of (2S)-1-(3-acetamidopyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(3-acetamidopyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of -0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3-acetamidopyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 113402525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).