(2R,4R)-1-(1-cyclopropylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

C13H16N2O4 — CID 79000742

IUPAC(2R,4R)-1-(1-cyclopropylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](O)CN1C(=O)c1cccn1C1CC1
InChIInChI=1S/C13H16N2O4/c16-9-6-11(13(18)19)15(7-9)12(17)10-2-1-5-14(10)8-3-4-8/h1-2,5,8-9,11,16H,3-4,6-7H2,(H,18,19)/t9-,11-/m1/s1
InChIKeyVCZSEQDFDIPCJQ-MWLCHTKSSA-N
MW264.28 g/mol
LogP0.48
Rot. Bonds3

About (2R,4R)-1-(1-cyclopropylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

(2R,4R)-1-(1-cyclopropylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 79000742) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is (2R,4R)-1-(1-cyclopropylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-1-(1-cyclopropylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID79000742
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name(2R,4R)-1-(1-cyclopropylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](O)CN1C(=O)c1cccn1C1CC1
InChIInChI=1S/C13H16N2O4/c16-9-6-11(13(18)19)15(7-9)12(17)10-2-1-5-14(10)8-3-4-8/h1-2,5,8-9,11,16H,3-4,6-7H2,(H,18,19)/t9-,11-/m1/s1
InChIKeyVCZSEQDFDIPCJQ-MWLCHTKSSA-N
XLogP0.48
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-cyclopropylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 43639281
(2R)-1-(1-cyclopropylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 79034669
3-(1-cyclopropylpyrrole-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43639306
(2S,4S)-1-(4-chloro-1-cyclopropylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64714386
1-(1-cyclobutylpyrrole-2-carbonyl)piperazine-2-carboxylic acid
CID 114610402
(2S)-4-hydroxy-1-(1H-pyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 61151805
(2S)-1-(2-bromobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61151791
(1-cyclopropylpyrrol-2-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114680510
(2S)-1-(3,4-difluorobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61153392
1-(furan-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 2765111
(2R,4R)-4-hydroxy-1-(1-methyl-5-nitropyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 28741593
(2S,4R)-1-(4-chlorobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30051868

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-(1-cyclopropylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4R)-1-(1-cyclopropylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 79000742) is (2R,4R)-1-(1-cyclopropylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-1-(1-cyclopropylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4R)-1-(1-cyclopropylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is O=C(O)[C@H]1C[C@@H](O)CN1C(=O)c1cccn1C1CC1.
What is the InChIKey of (2R,4R)-1-(1-cyclopropylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is VCZSEQDFDIPCJQ-MWLCHTKSSA-N. The full InChI is InChI=1S/C13H16N2O4/c16-9-6-11(13(18)19)15(7-9)12(17)10-2-1-5-14(10)8-3-4-8/h1-2,5,8-9,11,16H,3-4,6-7H2,(H,18,19)/t9-,11-/m1/s1.
What are the key properties of (2R,4R)-1-(1-cyclopropylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
(2R,4R)-1-(1-cyclopropylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-(1-cyclopropylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 79000742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).