acetic acid;(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid

C12H20N2O5 — CID 175939790

IUPACacetic acid;(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
SMILESCC(=O)O.O=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1
InChIInChI=1S/C10H16N2O3.C2H4O2/c13-9(7-3-1-5-11-7)12-6-2-4-8(12)10(14)15;1-2(3)4/h7-8,11H,1-6H2,(H,14,15);1H3,(H,3,4)/t7-,8-;/m0./s1
InChIKeyHWNHJLBZWOIRGY-WSZWBAFRSA-N
MW272.30 g/mol
LogP-0.10
Rot. Bonds2

About acetic acid;(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid

acetic acid;(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 175939790) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is acetic acid;(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Nameacetic acid;(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
PubChem CID175939790
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Nameacetic acid;(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
SMILESCC(=O)O.O=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1
InChIInChI=1S/C10H16N2O3.C2H4O2/c13-9(7-3-1-5-11-7)12-6-2-4-8(12)10(14)15;1-2(3)4/h7-8,11H,1-6H2,(H,14,15);1H3,(H,3,4)/t7-,8-;/m0./s1
InChIKeyHWNHJLBZWOIRGY-WSZWBAFRSA-N
XLogP-0.10
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 61158797
(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 102311837
(2R)-1-(piperidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 78923169
1-(pyrrolidine-2-carbonyl)piperidine-2-carboxylic acid
CID 61157904
1-[(2S)-pyrrolidine-2-carbonyl]piperidine-2-carboxylic acid
CID 61158281
(2-arsanylcarbonylpyrrolidin-1-yl)-pyrrolidin-2-ylmethanone
CID 173334366
[(2S)-2-arsanylcarbonylpyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 173334367
1,3-bis[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]imidazolidine-2-carboxylic acid
CID 11468881
(2R)-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 132526338
N,N-dimethyl-1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide
CID 43579479
(2R)-1-(4-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 103869598
(2S)-N-methyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 93376645

Frequently Asked Questions

What is the IUPAC name of acetic acid;(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of acetic acid;(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid (CID 175939790) is acetic acid;(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for acetic acid;(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for acetic acid;(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid is CC(=O)O.O=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1.
What is the InChIKey of acetic acid;(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is HWNHJLBZWOIRGY-WSZWBAFRSA-N. The full InChI is InChI=1S/C10H16N2O3.C2H4O2/c13-9(7-3-1-5-11-7)12-6-2-4-8(12)10(14)15;1-2(3)4/h7-8,11H,1-6H2,(H,14,15);1H3,(H,3,4)/t7-,8-;/m0./s1.
What are the key properties of acetic acid;(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid?
acetic acid;(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of -0.10, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 175939790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).