1-[2-hydroxyethyl(pentan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid

C13H24N2O4 — CID 55150270

IUPAC1-[2-hydroxyethyl(pentan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCCC(CC)N(CCO)C(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C13H24N2O4/c1-3-11(4-2)15(7-8-16)13(19)14-6-5-10(9-14)12(17)18/h10-11,16H,3-9H2,1-2H3,(H,17,18)
InChIKeyVKVHUIHERCYYFA-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.00
Rot. Bonds6

About 1-[2-hydroxyethyl(pentan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid

1-[2-hydroxyethyl(pentan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 55150270) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 1-[2-hydroxyethyl(pentan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-hydroxyethyl(pentan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID55150270
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name1-[2-hydroxyethyl(pentan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCCC(CC)N(CCO)C(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C13H24N2O4/c1-3-11(4-2)15(7-8-16)13(19)14-6-5-10(9-14)12(17)18/h10-11,16H,3-9H2,1-2H3,(H,17,18)
InChIKeyVKVHUIHERCYYFA-UHFFFAOYSA-N
XLogP1.00
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)-N-pentan-3-ylazepane-1-carboxamide
CID 79152464
(3S)-1-[2-methoxyethyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81118499
(3R)-1-[2-methylpropyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81120208
1-[2-hydroxyethyl(pentan-3-yl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63719575
1-[2-methylpropyl(pentan-3-yl)carbamoyl]azetidine-3-carboxylic acid
CID 79491050
1-[3-hydroxypropyl(propan-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 54998929
1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63032262
1-[2-ethoxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 81056899
1-[cyclopentyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63032080
N-(2-aminoethyl)-N-pentan-3-ylazepane-1-carboxamide
CID 79151862
(3S)-1-[butan-2-yl(methyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126152
1-[2-methoxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63030368

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxyethyl(pentan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-hydroxyethyl(pentan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid (CID 55150270) is 1-[2-hydroxyethyl(pentan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-hydroxyethyl(pentan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-hydroxyethyl(pentan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid is CCC(CC)N(CCO)C(=O)N1CCC(C(=O)O)C1.
What is the InChIKey of 1-[2-hydroxyethyl(pentan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is VKVHUIHERCYYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-3-11(4-2)15(7-8-16)13(19)14-6-5-10(9-14)12(17)18/h10-11,16H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 1-[2-hydroxyethyl(pentan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
1-[2-hydroxyethyl(pentan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 272.34 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxyethyl(pentan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 55150270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).