(2S)-4-hydroxy-1-(octan-4-ylcarbamoyl)pyrrolidine-2-carboxylic acid

C14H26N2O4 — CID 106020583

IUPAC(2S)-4-hydroxy-1-(octan-4-ylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESCCCCC(CCC)NC(=O)N1CC(O)C[C@H]1C(=O)O
InChIInChI=1S/C14H26N2O4/c1-3-5-7-10(6-4-2)15-14(20)16-9-11(17)8-12(16)13(18)19/h10-12,17H,3-9H2,1-2H3,(H,15,20)(H,18,19)/t10?,11?,12-/m0/s1
InChIKeyOORFAVSQLXTTQW-MCIGGMRASA-N
MW286.37 g/mol
LogP1.57
Rot. Bonds7

About (2S)-4-hydroxy-1-(octan-4-ylcarbamoyl)pyrrolidine-2-carboxylic acid

(2S)-4-hydroxy-1-(octan-4-ylcarbamoyl)pyrrolidine-2-carboxylic acid (PubChem CID 106020583) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is (2S)-4-hydroxy-1-(octan-4-ylcarbamoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-1-(octan-4-ylcarbamoyl)pyrrolidine-2-carboxylic acid
PubChem CID106020583
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name(2S)-4-hydroxy-1-(octan-4-ylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESCCCCC(CCC)NC(=O)N1CC(O)C[C@H]1C(=O)O
InChIInChI=1S/C14H26N2O4/c1-3-5-7-10(6-4-2)15-14(20)16-9-11(17)8-12(16)13(18)19/h10-12,17H,3-9H2,1-2H3,(H,15,20)(H,18,19)/t10?,11?,12-/m0/s1
InChIKeyOORFAVSQLXTTQW-MCIGGMRASA-N
XLogP1.57
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4R)-1-(hexan-2-ylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 78999993
(2R,4R)-1-(heptan-2-ylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 78999501
1-(hex-1-yn-3-ylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 106232545
(2S,4S)-1-(butan-2-ylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64714443
(2S,4R)-1-(butylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 27339570
(2S,4S)-1-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64714817
(2S,4S)-4-hydroxy-1-(3-methylpentan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 64713050
(2S)-4-hydroxy-1-(3-methylpentan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 54955310
(2S,4S)-4-hydroxy-1-(5-methylhexan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 64714663
(2S,4S)-1-(3-butoxypropylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 104864999
4-hydroxy-1-(4-methylpentan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61198027
(2S,4S)-1-(1-ethoxypropan-2-ylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64714650

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-1-(octan-4-ylcarbamoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-4-hydroxy-1-(octan-4-ylcarbamoyl)pyrrolidine-2-carboxylic acid (CID 106020583) is (2S)-4-hydroxy-1-(octan-4-ylcarbamoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-hydroxy-1-(octan-4-ylcarbamoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-4-hydroxy-1-(octan-4-ylcarbamoyl)pyrrolidine-2-carboxylic acid is CCCCC(CCC)NC(=O)N1CC(O)C[C@H]1C(=O)O.
What is the InChIKey of (2S)-4-hydroxy-1-(octan-4-ylcarbamoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is OORFAVSQLXTTQW-MCIGGMRASA-N. The full InChI is InChI=1S/C14H26N2O4/c1-3-5-7-10(6-4-2)15-14(20)16-9-11(17)8-12(16)13(18)19/h10-12,17H,3-9H2,1-2H3,(H,15,20)(H,18,19)/t10?,11?,12-/m0/s1.
What are the key properties of (2S)-4-hydroxy-1-(octan-4-ylcarbamoyl)pyrrolidine-2-carboxylic acid?
(2S)-4-hydroxy-1-(octan-4-ylcarbamoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 286.37 g/mol, XLogP of 1.57, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-1-(octan-4-ylcarbamoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106020583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).