(2R,4R)-1-[(2,3-dimethyloxolan-3-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid

C12H20N2O5 — CID 114096599

IUPAC(2R,4R)-1-[(2,3-dimethyloxolan-3-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCC1OCCC1(C)NC(=O)N1C[C@H](O)C[C@@H]1C(=O)O
InChIInChI=1S/C12H20N2O5/c1-7-12(2,3-4-19-7)13-11(18)14-6-8(15)5-9(14)10(16)17/h7-9,15H,3-6H2,1-2H3,(H,13,18)(H,16,17)/t7?,8-,9-,12?/m1/s1
InChIKeyROVPWMRGHYQPPK-HLXSOGAOSA-N
MW272.30 g/mol
LogP-0.22
Rot. Bonds2

About (2R,4R)-1-[(2,3-dimethyloxolan-3-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid

(2R,4R)-1-[(2,3-dimethyloxolan-3-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 114096599) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is (2R,4R)-1-[(2,3-dimethyloxolan-3-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-1-[(2,3-dimethyloxolan-3-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID114096599
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name(2R,4R)-1-[(2,3-dimethyloxolan-3-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCC1OCCC1(C)NC(=O)N1C[C@H](O)C[C@@H]1C(=O)O
InChIInChI=1S/C12H20N2O5/c1-7-12(2,3-4-19-7)13-11(18)14-6-8(15)5-9(14)10(16)17/h7-9,15H,3-6H2,1-2H3,(H,13,18)(H,16,17)/t7?,8-,9-,12?/m1/s1
InChIKeyROVPWMRGHYQPPK-HLXSOGAOSA-N
XLogP-0.22
TPSA99.10 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 ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4R)-4-hydroxy-1-[(1-methylcyclopropyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 104865776
(2S)-4-hydroxy-1-[(3-methyloxolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 113482253
3-[(2,3-dimethyloxolan-3-yl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 114096642
(2S,4R)-4-hydroxy-1-[(2-methylcyclopropyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 63844255
(2S)-4-hydroxy-1-[(3-methyloxan-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 114241207
(2R,4R)-4-hydroxy-1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 79350873
4-hydroxy-1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 79350874
1-[(3,3-dimethylcyclopentyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 113364557
(2S,4S)-1-[(2,2-dimethylcyclopentyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79878536
(2S,4S)-4-hydroxy-1-[(2-methylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 104861012
(2S,4S)-1-[(2,6-dimethylpiperidin-1-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 83019671
(2S,4S)-4-hydroxy-1-(5-methylhexan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 64714663

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-[(2,3-dimethyloxolan-3-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4R)-1-[(2,3-dimethyloxolan-3-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 114096599) is (2R,4R)-1-[(2,3-dimethyloxolan-3-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-1-[(2,3-dimethyloxolan-3-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4R)-1-[(2,3-dimethyloxolan-3-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid is CC1OCCC1(C)NC(=O)N1C[C@H](O)C[C@@H]1C(=O)O.
What is the InChIKey of (2R,4R)-1-[(2,3-dimethyloxolan-3-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is ROVPWMRGHYQPPK-HLXSOGAOSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-7-12(2,3-4-19-7)13-11(18)14-6-8(15)5-9(14)10(16)17/h7-9,15H,3-6H2,1-2H3,(H,13,18)(H,16,17)/t7?,8-,9-,12?/m1/s1.
What are the key properties of (2R,4R)-1-[(2,3-dimethyloxolan-3-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
(2R,4R)-1-[(2,3-dimethyloxolan-3-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of -0.22, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-[(2,3-dimethyloxolan-3-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 114096599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).