(2S)-1-formyl-2-methylpyrrolidine-2-carboxylic acid

C7H11NO3 — CID 141351286

IUPAC(2S)-1-formyl-2-methylpyrrolidine-2-carboxylic acid
SMILESC[C@@]1(C(=O)O)CCCN1C=O
InChIInChI=1S/C7H11NO3/c1-7(6(10)11)3-2-4-8(7)5-9/h5H,2-4H2,1H3,(H,10,11)/t7-/m0/s1
InChIKeyJBLOVBCSJRKEAL-ZETCQYMHSA-N
MW157.17 g/mol
LogP0.08
Rot. Bonds2

About (2S)-1-formyl-2-methylpyrrolidine-2-carboxylic acid

(2S)-1-formyl-2-methylpyrrolidine-2-carboxylic acid (PubChem CID 141351286) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is (2S)-1-formyl-2-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-formyl-2-methylpyrrolidine-2-carboxylic acid
PubChem CID141351286
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name(2S)-1-formyl-2-methylpyrrolidine-2-carboxylic acid
SMILESC[C@@]1(C(=O)O)CCCN1C=O
InChIInChI=1S/C7H11NO3/c1-7(6(10)11)3-2-4-8(7)5-9/h5H,2-4H2,1H3,(H,10,11)/t7-/m0/s1
InChIKeyJBLOVBCSJRKEAL-ZETCQYMHSA-N
XLogP0.08
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 162348779
CID 162348779
1,2-dimethylpiperidine-2-carboxylic acid
CID 73440704
1-formyl-4-methylpiperidine-4-carboxylic acid
CID 63123507
(2S)-1-methoxycarbonyl-2-methylpyrrolidine-2-carboxylic acid
CID 67496277
1-[2-(1-aminocyclobutyl)acetyl]-2-methylpyrrolidine-2-carboxylic acid
CID 79854494
4-azaspiro[2.4]heptane-4-carbaldehyde
CID 166139649
1-(2,2-dimethylcyclopropanecarbonyl)-2-methylpyrrolidine-2-carboxylic acid
CID 107000430
(2R)-1,2-dimethylazetidine-2-carboxylic acid;hydrochloride
CID 70559346
2-methyl-1-(3-phenylprop-2-enyl)pyrrolidine-2-carboxylic acid
CID 77024923
(2R)-1-[(2R)-2-fluoropropyl]-2-methylpyrrolidine-2-carboxylic acid
CID 167294981
tert-butyl piperidine-1-carboxylate;2,2-dimethylpyrrolidine-1-carbaldehyde;formic acid
CID 153347184
2-methyl-1-pentan-2-ylpyrrolidine-2-carboxylic acid
CID 65071376

Frequently Asked Questions

What is the IUPAC name of (2S)-1-formyl-2-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-formyl-2-methylpyrrolidine-2-carboxylic acid (CID 141351286) is (2S)-1-formyl-2-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-formyl-2-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-formyl-2-methylpyrrolidine-2-carboxylic acid is C[C@@]1(C(=O)O)CCCN1C=O.
What is the InChIKey of (2S)-1-formyl-2-methylpyrrolidine-2-carboxylic acid?
The InChIKey is JBLOVBCSJRKEAL-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H11NO3/c1-7(6(10)11)3-2-4-8(7)5-9/h5H,2-4H2,1H3,(H,10,11)/t7-/m0/s1.
What are the key properties of (2S)-1-formyl-2-methylpyrrolidine-2-carboxylic acid?
(2S)-1-formyl-2-methylpyrrolidine-2-carboxylic acid has a molecular weight of 157.17 g/mol, XLogP of 0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-formyl-2-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 141351286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).