3-ethyl-1-[2-(5-methylhexan-2-ylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid

C16H30N2O3 — CID 63148782

IUPAC3-ethyl-1-[2-(5-methylhexan-2-ylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(CC(=O)NC(C)CCC(C)C)C1
InChIInChI=1S/C16H30N2O3/c1-5-16(15(20)21)8-9-18(11-16)10-14(19)17-13(4)7-6-12(2)3/h12-13H,5-11H2,1-4H3,(H,17,19)(H,20,21)
InChIKeySZSYYIORFDELQH-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.11
Rot. Bonds8

About 3-ethyl-1-[2-(5-methylhexan-2-ylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid

3-ethyl-1-[2-(5-methylhexan-2-ylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid (PubChem CID 63148782) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 3-ethyl-1-[2-(5-methylhexan-2-ylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-[2-(5-methylhexan-2-ylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
PubChem CID63148782
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name3-ethyl-1-[2-(5-methylhexan-2-ylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(CC(=O)NC(C)CCC(C)C)C1
InChIInChI=1S/C16H30N2O3/c1-5-16(15(20)21)8-9-18(11-16)10-14(19)17-13(4)7-6-12(2)3/h12-13H,5-11H2,1-4H3,(H,17,19)(H,20,21)
InChIKeySZSYYIORFDELQH-UHFFFAOYSA-N
XLogP2.11
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-[2-oxo-2-(pentan-3-ylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 63148957
3-ethyl-1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 63137615
3-ethyl-1-(2-methylpropyl)pyrrolidine-3-carboxylic acid
CID 55222175
3-methyl-1-[2-oxo-2-(pentan-2-ylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 63148953
1-[2-(cycloheptylamino)-2-oxoethyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63148645
1-[2-oxo-2-(propan-2-ylamino)ethyl]-3-propylpiperidine-3-carboxylic acid
CID 63140844
1-[2-(butylcarbamoylamino)-2-oxoethyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63148934
3-ethyl-1-[2-(3-iodoanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63148388
3-ethyl-1-(2-ethylbutyl)pyrrolidine-3-carboxylic acid
CID 65063747
4-ethyl-1-(2-methylpentyl)piperidine-4-carboxylic acid
CID 63126221
N-heptan-2-yl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728598
3-ethyl-1-[2-(N-methylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63148892

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[2-(5-methylhexan-2-ylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-[2-(5-methylhexan-2-ylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid (CID 63148782) is 3-ethyl-1-[2-(5-methylhexan-2-ylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-[2-(5-methylhexan-2-ylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-[2-(5-methylhexan-2-ylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(CC(=O)NC(C)CCC(C)C)C1.
What is the InChIKey of 3-ethyl-1-[2-(5-methylhexan-2-ylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The InChIKey is SZSYYIORFDELQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-5-16(15(20)21)8-9-18(11-16)10-14(19)17-13(4)7-6-12(2)3/h12-13H,5-11H2,1-4H3,(H,17,19)(H,20,21).
What are the key properties of 3-ethyl-1-[2-(5-methylhexan-2-ylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid?
3-ethyl-1-[2-(5-methylhexan-2-ylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid has a molecular weight of 298.43 g/mol, XLogP of 2.11, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[2-(5-methylhexan-2-ylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63148782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).