(2S,4S)-1-(2,2-dimethylpyrrolidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

C12H20N2O4 — CID 64714485

IUPAC(2S,4S)-1-(2,2-dimethylpyrrolidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCC1(C)CCCN1C(=O)N1C[C@@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C12H20N2O4/c1-12(2)4-3-5-14(12)11(18)13-7-8(15)6-9(13)10(16)17/h8-9,15H,3-7H2,1-2H3,(H,16,17)/t8-,9-/m0/s1
InChIKeyXYTBZWSNFHLLDU-IUCAKERBSA-N
MW256.30 g/mol
LogP0.50
Rot. Bonds1

About (2S,4S)-1-(2,2-dimethylpyrrolidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

(2S,4S)-1-(2,2-dimethylpyrrolidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 64714485) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is (2S,4S)-1-(2,2-dimethylpyrrolidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-1-(2,2-dimethylpyrrolidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID64714485
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name(2S,4S)-1-(2,2-dimethylpyrrolidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCC1(C)CCCN1C(=O)N1C[C@@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C12H20N2O4/c1-12(2)4-3-5-14(12)11(18)13-7-8(15)6-9(13)10(16)17/h8-9,15H,3-7H2,1-2H3,(H,16,17)/t8-,9-/m0/s1
InChIKeyXYTBZWSNFHLLDU-IUCAKERBSA-N
XLogP0.50
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(2,2-dimethylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 63218947
(2S,4R)-4-hydroxy-1-(4-hydroxy-4-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 81115602
(2S,4R)-1-(4-acetyl-1,4-diazepane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63842357
1-(4,4-diethylpiperidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63161889
(2R,4R)-4-hydroxy-1-(3,3,4-trimethylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 78999354
4-hydroxy-1-(1-methylcyclohexanecarbonyl)pyrrolidine-2-carboxylic acid
CID 106826144
4-hydroxy-1-(2-methylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61207457
(2S,4S)-1-(7,7-dimethyl-1,4-thiazepane-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 107457380
(2S)-4-hydroxy-1-(2-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61187524
(2S,4R)-4-hydroxy-1-(3-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 55260359
(2S,4R)-4-hydroxy-1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 102744949
(2S,4S)-4-hydroxy-1-(4-hydroxypiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 64714272

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-(2,2-dimethylpyrrolidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-1-(2,2-dimethylpyrrolidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 64714485) is (2S,4S)-1-(2,2-dimethylpyrrolidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-1-(2,2-dimethylpyrrolidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-1-(2,2-dimethylpyrrolidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is CC1(C)CCCN1C(=O)N1C[C@@H](O)C[C@H]1C(=O)O.
What is the InChIKey of (2S,4S)-1-(2,2-dimethylpyrrolidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is XYTBZWSNFHLLDU-IUCAKERBSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-12(2)4-3-5-14(12)11(18)13-7-8(15)6-9(13)10(16)17/h8-9,15H,3-7H2,1-2H3,(H,16,17)/t8-,9-/m0/s1.
What are the key properties of (2S,4S)-1-(2,2-dimethylpyrrolidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
(2S,4S)-1-(2,2-dimethylpyrrolidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of 0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-(2,2-dimethylpyrrolidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 64714485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).