(2S,4S)-4-hydroxy-1-[(1-propylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid

C14H25N3O4 — CID 64713575

IUPAC(2S,4S)-4-hydroxy-1-[(1-propylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCCCN1CCC(NC(=O)N2C[C@@H](O)C[C@H]2C(=O)O)CC1
InChIInChI=1S/C14H25N3O4/c1-2-5-16-6-3-10(4-7-16)15-14(21)17-9-11(18)8-12(17)13(19)20/h10-12,18H,2-9H2,1H3,(H,15,21)(H,19,20)/t11-,12-/m0/s1
InChIKeyQLYUPPXKXRZPLD-RYUDHWBXSA-N
MW299.37 g/mol
LogP0.09
Rot. Bonds4

About (2S,4S)-4-hydroxy-1-[(1-propylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid

(2S,4S)-4-hydroxy-1-[(1-propylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 64713575) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is (2S,4S)-4-hydroxy-1-[(1-propylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-4-hydroxy-1-[(1-propylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID64713575
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name(2S,4S)-4-hydroxy-1-[(1-propylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCCCN1CCC(NC(=O)N2C[C@@H](O)C[C@H]2C(=O)O)CC1
InChIInChI=1S/C14H25N3O4/c1-2-5-16-6-3-10(4-7-16)15-14(21)17-9-11(18)8-12(17)13(19)20/h10-12,18H,2-9H2,1H3,(H,15,21)(H,19,20)/t11-,12-/m0/s1
InChIKeyQLYUPPXKXRZPLD-RYUDHWBXSA-N
XLogP0.09
TPSA93.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(cyclopropylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61187010
1-[(1-ethylpiperidin-3-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61478315
(2S,4R)-1-(cyclooctylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63841825
4-hydroxy-1-[(1-methylpiperidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61222918
(2R,4R)-4-hydroxy-1-(4-propylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 78999372
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,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
1-[(3,3-dimethylcyclopentyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 113364557
(2S)-4-hydroxy-1-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 106257927
(2S,4R)-4-hydroxy-1-(oxan-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 63843068

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-hydroxy-1-[(1-propylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-4-hydroxy-1-[(1-propylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 64713575) is (2S,4S)-4-hydroxy-1-[(1-propylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-4-hydroxy-1-[(1-propylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-4-hydroxy-1-[(1-propylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid is CCCN1CCC(NC(=O)N2C[C@@H](O)C[C@H]2C(=O)O)CC1.
What is the InChIKey of (2S,4S)-4-hydroxy-1-[(1-propylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is QLYUPPXKXRZPLD-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-2-5-16-6-3-10(4-7-16)15-14(21)17-9-11(18)8-12(17)13(19)20/h10-12,18H,2-9H2,1H3,(H,15,21)(H,19,20)/t11-,12-/m0/s1.
What are the key properties of (2S,4S)-4-hydroxy-1-[(1-propylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
(2S,4S)-4-hydroxy-1-[(1-propylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 299.37 g/mol, XLogP of 0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-hydroxy-1-[(1-propylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 64713575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).