(2S,4S)-1-[butyl(cyclopropyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid

C13H22N2O4 — CID 64714639

IUPAC(2S,4S)-1-[butyl(cyclopropyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCCCN(C(=O)N1C[C@@H](O)C[C@H]1C(=O)O)C1CC1
InChIInChI=1S/C13H22N2O4/c1-2-3-6-14(9-4-5-9)13(19)15-8-10(16)7-11(15)12(17)18/h9-11,16H,2-8H2,1H3,(H,17,18)/t10-,11-/m0/s1
InChIKeySLXRWERPDKVVCB-QWRGUYRKSA-N
MW270.33 g/mol
LogP0.89
Rot. Bonds5

About (2S,4S)-1-[butyl(cyclopropyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid

(2S,4S)-1-[butyl(cyclopropyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 64714639) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is (2S,4S)-1-[butyl(cyclopropyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-1-[butyl(cyclopropyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID64714639
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name(2S,4S)-1-[butyl(cyclopropyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCCCN(C(=O)N1C[C@@H](O)C[C@H]1C(=O)O)C1CC1
InChIInChI=1S/C13H22N2O4/c1-2-3-6-14(9-4-5-9)13(19)15-8-10(16)7-11(15)12(17)18/h9-11,16H,2-8H2,1H3,(H,17,18)/t10-,11-/m0/s1
InChIKeySLXRWERPDKVVCB-QWRGUYRKSA-N
XLogP0.89
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[butyl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61184805
(2R,4R)-1-[butyl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 78999862
1-[butyl(cyclopropyl)carbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 61443374
1-[cyclopentyl(ethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61209949
(2S,4R)-1-[cyclohexyl(ethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63841659
(2R,4R)-1-[2-cyanoethyl(cyclopropyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 78999616
1-[butyl(cyclopropyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782010
(2S,4S)-4-hydroxy-1-[methyl(pentan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 64713742
(2S)-4-hydroxy-1-[methyl(pentan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61202534
1-[ethyl(3-hydroxypropyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 113468851
(2S,4R)-4-hydroxy-1-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 63842880
(2S,4R)-1-(dimethylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63841662

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-[butyl(cyclopropyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-1-[butyl(cyclopropyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 64714639) is (2S,4S)-1-[butyl(cyclopropyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-1-[butyl(cyclopropyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-1-[butyl(cyclopropyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid is CCCCN(C(=O)N1C[C@@H](O)C[C@H]1C(=O)O)C1CC1.
What is the InChIKey of (2S,4S)-1-[butyl(cyclopropyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is SLXRWERPDKVVCB-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-2-3-6-14(9-4-5-9)13(19)15-8-10(16)7-11(15)12(17)18/h9-11,16H,2-8H2,1H3,(H,17,18)/t10-,11-/m0/s1.
What are the key properties of (2S,4S)-1-[butyl(cyclopropyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
(2S,4S)-1-[butyl(cyclopropyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-[butyl(cyclopropyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 64714639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).