1-(1-cyclohexylpropylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid

C15H26N2O4 — CID 62406181

IUPAC1-(1-cyclohexylpropylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCC(NC(=O)N1CC(O)CC1C(=O)O)C1CCCCC1
InChIInChI=1S/C15H26N2O4/c1-2-12(10-6-4-3-5-7-10)16-15(21)17-9-11(18)8-13(17)14(19)20/h10-13,18H,2-9H2,1H3,(H,16,21)(H,19,20)
InChIKeyFSZFDTJKMRAFDM-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.57
Rot. Bonds4

About 1-(1-cyclohexylpropylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid

1-(1-cyclohexylpropylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 62406181) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-(1-cyclohexylpropylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-cyclohexylpropylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID62406181
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-(1-cyclohexylpropylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCC(NC(=O)N1CC(O)CC1C(=O)O)C1CCCCC1
InChIInChI=1S/C15H26N2O4/c1-2-12(10-6-4-3-5-7-10)16-15(21)17-9-11(18)8-13(17)14(19)20/h10-13,18H,2-9H2,1H3,(H,16,21)(H,19,20)
InChIKeyFSZFDTJKMRAFDM-UHFFFAOYSA-N
XLogP1.57
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-1-(butan-2-ylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64714443
(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,4R)-1-(cyclooctylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63841825
(2S,4R)-1-(1-cyclopropylpropan-2-ylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63995741
(2R,4R)-1-(hexan-2-ylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 78999993
(2S,4S)-4-hydroxy-1-(5-methylhexan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 64714663
(2R,4R)-1-(heptan-2-ylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 78999501
4-hydroxy-1-(4-methylpentan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61198027
(2S,4S)-1-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64714817
(2S)-4-hydroxy-1-(octan-4-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 106020583
1-[(3-ethylcyclohexyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64743536

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylpropylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(1-cyclohexylpropylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 62406181) is 1-(1-cyclohexylpropylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(1-cyclohexylpropylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(1-cyclohexylpropylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid is CCC(NC(=O)N1CC(O)CC1C(=O)O)C1CCCCC1.
What is the InChIKey of 1-(1-cyclohexylpropylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is FSZFDTJKMRAFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-2-12(10-6-4-3-5-7-10)16-15(21)17-9-11(18)8-13(17)14(19)20/h10-13,18H,2-9H2,1H3,(H,16,21)(H,19,20).
What are the key properties of 1-(1-cyclohexylpropylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid?
1-(1-cyclohexylpropylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.57, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylpropylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 62406181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).