1-[(3-ethylcyclohexyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid

C14H24N2O4 — CID 64743536

IUPAC1-[(3-ethylcyclohexyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCC1CCCC(NC(=O)N2CC(O)CC2C(=O)O)C1
InChIInChI=1S/C14H24N2O4/c1-2-9-4-3-5-10(6-9)15-14(20)16-8-11(17)7-12(16)13(18)19/h9-12,17H,2-8H2,1H3,(H,15,20)(H,18,19)
InChIKeyDPJNLUWPHVLVTG-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.18
Rot. Bonds3

About 1-[(3-ethylcyclohexyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid

1-[(3-ethylcyclohexyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 64743536) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[(3-ethylcyclohexyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(3-ethylcyclohexyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID64743536
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name1-[(3-ethylcyclohexyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCC1CCCC(NC(=O)N2CC(O)CC2C(=O)O)C1
InChIInChI=1S/C14H24N2O4/c1-2-9-4-3-5-10(6-9)15-14(20)16-8-11(17)7-12(16)13(18)19/h9-12,17H,2-8H2,1H3,(H,15,20)(H,18,19)
InChIKeyDPJNLUWPHVLVTG-UHFFFAOYSA-N
XLogP1.18
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4R)-1-(cyclooctylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63841825
1-[(1-ethylpiperidin-3-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61478315
4-hydroxy-1-[(1-methylpiperidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61222918
(2S)-1-(cyclopropylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61187010
(2S,4R)-1-[(4-ethylcyclohexyl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63843058
(2S,4S)-4-hydroxy-1-[(1-propylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 64713575
(2R,4R)-4-hydroxy-1-(thian-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 104870656
(2S,4R)-4-hydroxy-1-(oxan-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 63843068
1-(2-cyclobutylethylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 113364354
1-[(3-ethylcyclohexyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 64742360
1-(cyclopropylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid
CID 114427375
(2S,4S)-1-(cyclopentylmethylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713739

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethylcyclohexyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(3-ethylcyclohexyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 64743536) is 1-[(3-ethylcyclohexyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(3-ethylcyclohexyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(3-ethylcyclohexyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid is CCC1CCCC(NC(=O)N2CC(O)CC2C(=O)O)C1.
What is the InChIKey of 1-[(3-ethylcyclohexyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is DPJNLUWPHVLVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-2-9-4-3-5-10(6-9)15-14(20)16-8-11(17)7-12(16)13(18)19/h9-12,17H,2-8H2,1H3,(H,15,20)(H,18,19).
What are the key properties of 1-[(3-ethylcyclohexyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
1-[(3-ethylcyclohexyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.18, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethylcyclohexyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 64743536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).