(2S)-4-hydroxy-1-[(3-methyloxolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid

C11H18N2O5 — CID 113482253

IUPAC(2S)-4-hydroxy-1-[(3-methyloxolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCC1(NC(=O)N2CC(O)C[C@H]2C(=O)O)CCOC1
InChIInChI=1S/C11H18N2O5/c1-11(2-3-18-6-11)12-10(17)13-5-7(14)4-8(13)9(15)16/h7-8,14H,2-6H2,1H3,(H,12,17)(H,15,16)/t7?,8-,11?/m0/s1
InChIKeyNVKIOSCJCXRTNR-KAIZJQOQSA-N
MW258.27 g/mol
LogP-0.61
Rot. Bonds2

About (2S)-4-hydroxy-1-[(3-methyloxolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid

(2S)-4-hydroxy-1-[(3-methyloxolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 113482253) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is (2S)-4-hydroxy-1-[(3-methyloxolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-1-[(3-methyloxolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID113482253
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name(2S)-4-hydroxy-1-[(3-methyloxolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCC1(NC(=O)N2CC(O)C[C@H]2C(=O)O)CCOC1
InChIInChI=1S/C11H18N2O5/c1-11(2-3-18-6-11)12-10(17)13-5-7(14)4-8(13)9(15)16/h7-8,14H,2-6H2,1H3,(H,12,17)(H,15,16)/t7?,8-,11?/m0/s1
InChIKeyNVKIOSCJCXRTNR-KAIZJQOQSA-N
XLogP-0.61
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-0.61
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
4-ethyl-1-[(3-methyloxolan-3-yl)carbamoyl]piperidine-2-carboxylic acid
CID 114430536
(2R,4R)-1-[(2,3-dimethyloxolan-3-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114096599
(2R,4R)-1-(3-aminooxolane-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64892840
(3R)-1-[(3-methyloxolan-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 104865261
(2S,4R)-1-(4-aminooxane-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 115294948
(2S)-4-hydroxy-1-[(3-methyloxan-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 114241207
4-hydroxy-1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 79350874
(2R,4R)-4-hydroxy-1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 79350873
(2R,4R)-1-(4-amino-3-methyloxolane-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79028885
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

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-1-[(3-methyloxolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-4-hydroxy-1-[(3-methyloxolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 113482253) is (2S)-4-hydroxy-1-[(3-methyloxolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-hydroxy-1-[(3-methyloxolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-4-hydroxy-1-[(3-methyloxolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid is CC1(NC(=O)N2CC(O)C[C@H]2C(=O)O)CCOC1.
What is the InChIKey of (2S)-4-hydroxy-1-[(3-methyloxolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is NVKIOSCJCXRTNR-KAIZJQOQSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-11(2-3-18-6-11)12-10(17)13-5-7(14)4-8(13)9(15)16/h7-8,14H,2-6H2,1H3,(H,12,17)(H,15,16)/t7?,8-,11?/m0/s1.
What are the key properties of (2S)-4-hydroxy-1-[(3-methyloxolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
(2S)-4-hydroxy-1-[(3-methyloxolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 258.27 g/mol, XLogP of -0.61, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-1-[(3-methyloxolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 113482253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).