4-hydroxy-1-[(1-methylpiperidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid

C12H21N3O4 — CID 61222918

IUPAC4-hydroxy-1-[(1-methylpiperidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCN1CCCC(NC(=O)N2CC(O)CC2C(=O)O)C1
InChIInChI=1S/C12H21N3O4/c1-14-4-2-3-8(6-14)13-12(19)15-7-9(16)5-10(15)11(17)18/h8-10,16H,2-7H2,1H3,(H,13,19)(H,17,18)
InChIKeyUCZRDFJDCKFBSF-UHFFFAOYSA-N
MW271.32 g/mol
LogP-0.69
Rot. Bonds2

About 4-hydroxy-1-[(1-methylpiperidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid

4-hydroxy-1-[(1-methylpiperidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 61222918) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-hydroxy-1-[(1-methylpiperidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-[(1-methylpiperidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID61222918
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name4-hydroxy-1-[(1-methylpiperidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCN1CCCC(NC(=O)N2CC(O)CC2C(=O)O)C1
InChIInChI=1S/C12H21N3O4/c1-14-4-2-3-8(6-14)13-12(19)15-7-9(16)5-10(15)11(17)18/h8-10,16H,2-7H2,1H3,(H,13,19)(H,17,18)
InChIKeyUCZRDFJDCKFBSF-UHFFFAOYSA-N
XLogP-0.69
TPSA93.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-ethylpiperidin-3-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61478315
(2S,4R)-1-(cyclooctylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63841825
(2S)-1-(cyclopropylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61187010
1-[(1-methylpiperidin-3-yl)carbamoyl]piperidine-2-carboxylic acid
CID 61223087
1-[(3-ethylcyclohexyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64743536
(2R,4R)-1-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000138
(2S,4S)-4-hydroxy-1-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 64712230
(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
2-methyl-1-[(1-methylpiperidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 79383195
(2S,4R)-4-hydroxy-1-[(3-methylsulfanylcyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 114124049

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[(1-methylpiperidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1-[(1-methylpiperidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 61222918) is 4-hydroxy-1-[(1-methylpiperidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-[(1-methylpiperidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-[(1-methylpiperidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid is CN1CCCC(NC(=O)N2CC(O)CC2C(=O)O)C1.
What is the InChIKey of 4-hydroxy-1-[(1-methylpiperidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is UCZRDFJDCKFBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-14-4-2-3-8(6-14)13-12(19)15-7-9(16)5-10(15)11(17)18/h8-10,16H,2-7H2,1H3,(H,13,19)(H,17,18).
What are the key properties of 4-hydroxy-1-[(1-methylpiperidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
4-hydroxy-1-[(1-methylpiperidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of -0.69, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[(1-methylpiperidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61222918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).