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

C13H23N3O4 — CID 61478315

IUPAC1-[(1-ethylpiperidin-3-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCN1CCCC(NC(=O)N2CC(O)CC2C(=O)O)C1
InChIInChI=1S/C13H23N3O4/c1-2-15-5-3-4-9(7-15)14-13(20)16-8-10(17)6-11(16)12(18)19/h9-11,17H,2-8H2,1H3,(H,14,20)(H,18,19)
InChIKeyILBSRVJAKYXUPL-UHFFFAOYSA-N
MW285.34 g/mol
LogP-0.30
Rot. Bonds3

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

1-[(1-ethylpiperidin-3-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 61478315) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 1-[(1-ethylpiperidin-3-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(1-ethylpiperidin-3-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID61478315
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name1-[(1-ethylpiperidin-3-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCN1CCCC(NC(=O)N2CC(O)CC2C(=O)O)C1
InChIInChI=1S/C13H23N3O4/c1-2-15-5-3-4-9(7-15)14-13(20)16-8-10(17)6-11(16)12(18)19/h9-11,17H,2-8H2,1H3,(H,14,20)(H,18,19)
InChIKeyILBSRVJAKYXUPL-UHFFFAOYSA-N
XLogP-0.30
TPSA93.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-1-[(1-methylpiperidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61222918
(2S,4R)-1-(cyclooctylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63841825
1-[(3-ethylcyclohexyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64743536
(2S,4S)-4-hydroxy-1-[(1-propylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 64713575
(2S)-1-(cyclopropylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61187010
3-[(1-ethylpiperidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66030045
(2R,4R)-1-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000138
(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
(2S,4R)-1-(4-ethylpiperazine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63843711
(2S,4R)-4-hydroxy-1-[(3-methylsulfanylcyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 114124049
(2S,4S)-4-hydroxy-1-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 64712230

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpiperidin-3-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(1-ethylpiperidin-3-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 61478315) is 1-[(1-ethylpiperidin-3-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(1-ethylpiperidin-3-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(1-ethylpiperidin-3-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid is CCN1CCCC(NC(=O)N2CC(O)CC2C(=O)O)C1.
What is the InChIKey of 1-[(1-ethylpiperidin-3-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is ILBSRVJAKYXUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-2-15-5-3-4-9(7-15)14-13(20)16-8-10(17)6-11(16)12(18)19/h9-11,17H,2-8H2,1H3,(H,14,20)(H,18,19).
What are the key properties of 1-[(1-ethylpiperidin-3-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
1-[(1-ethylpiperidin-3-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of -0.30, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpiperidin-3-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61478315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).