5-(acetamidomethyl)-4-methoxycarbonylpyrrolidine-2-carboxylic acid

C10H16N2O5 — CID 503260

IUPAC5-(acetamidomethyl)-4-methoxycarbonylpyrrolidine-2-carboxylic acid
SMILESCOC(=O)C1CC(C(=O)O)NC1CNC(C)=O
InChIInChI=1S/C10H16N2O5/c1-5(13)11-4-8-6(10(16)17-2)3-7(12-8)9(14)15/h6-8,12H,3-4H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyKYVHTULMFRQQLU-UHFFFAOYSA-N
MW244.25 g/mol
LogP-1.27
Rot. Bonds4

About 5-(acetamidomethyl)-4-methoxycarbonylpyrrolidine-2-carboxylic acid

5-(acetamidomethyl)-4-methoxycarbonylpyrrolidine-2-carboxylic acid (PubChem CID 503260) has the molecular formula C10H16N2O5 and a molecular weight of 244.25 g/mol. Its IUPAC name is 5-(acetamidomethyl)-4-methoxycarbonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name5-(acetamidomethyl)-4-methoxycarbonylpyrrolidine-2-carboxylic acid
PubChem CID503260
Molecular FormulaC10H16N2O5
Molecular Weight244.25 g/mol
Exact Mass244.11
IUPAC Name5-(acetamidomethyl)-4-methoxycarbonylpyrrolidine-2-carboxylic acid
SMILESCOC(=O)C1CC(C(=O)O)NC1CNC(C)=O
InChIInChI=1S/C10H16N2O5/c1-5(13)11-4-8-6(10(16)17-2)3-7(12-8)9(14)15/h6-8,12H,3-4H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyKYVHTULMFRQQLU-UHFFFAOYSA-N
XLogP-1.27
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-1.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-(Acetylamino)-3-methylbutyl]-4-(methoxycarbonyl)proline
CID 449200
H-Gly-D-dmP-Glu-OH
CID 44413487
H-Gly-dmP-Glu-OH
CID 11515428
L-Proline, N-(methoxycarbonyl)-L-valyl-5-methyl-, (5S)-
CID 67412687
Pyrrolidine deriv. 17
CID 5329286
(2R,4R,5R)-5-[(1S)-1-acetamido-3-methylbutyl]-4-(methoxymethyl)pyrrolidine-2-carboxylic acid
CID 5329287
(2R,4R,5R)-5-[(1S)-1-acetamido-3-methylbutyl]-4-(methylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 5329289
5-(1-Acetamido-3-methyl-butyl)-4-methoxycarbonyl-pyrrolidine-2-carboxylic acid
CID 503261
5-(1-Acetamido-3-ethyl-pentyl)-4-methoxycarbonyl-pyrrolidine-2-carboxylic acid
CID 503262
(5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carboxylic acid
CID 89888408
(2R,4R,5R)-5-(acetamidomethyl)-4-ethoxycarbonylpyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 69869836
(2R,4R,5R)-5-(acetamidomethyl)-4-(dimethylcarbamoyl)pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 69870810

Frequently Asked Questions

What is the IUPAC name of 5-(acetamidomethyl)-4-methoxycarbonylpyrrolidine-2-carboxylic acid?
The IUPAC name of 5-(acetamidomethyl)-4-methoxycarbonylpyrrolidine-2-carboxylic acid (CID 503260) is 5-(acetamidomethyl)-4-methoxycarbonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 5-(acetamidomethyl)-4-methoxycarbonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 5-(acetamidomethyl)-4-methoxycarbonylpyrrolidine-2-carboxylic acid is COC(=O)C1CC(C(=O)O)NC1CNC(C)=O.
What is the InChIKey of 5-(acetamidomethyl)-4-methoxycarbonylpyrrolidine-2-carboxylic acid?
The InChIKey is KYVHTULMFRQQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5/c1-5(13)11-4-8-6(10(16)17-2)3-7(12-8)9(14)15/h6-8,12H,3-4H2,1-2H3,(H,11,13)(H,14,15).
What are the key properties of 5-(acetamidomethyl)-4-methoxycarbonylpyrrolidine-2-carboxylic acid?
5-(acetamidomethyl)-4-methoxycarbonylpyrrolidine-2-carboxylic acid has a molecular weight of 244.25 g/mol, XLogP of -1.27, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(acetamidomethyl)-4-methoxycarbonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 503260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).