2-methyl-1-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid

C16H30N2O3 — CID 79371522

IUPAC2-methyl-1-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
SMILESCC(C)CCCC(C)NC(=O)CN1CCC(C(=O)O)C1C
InChIInChI=1S/C16H30N2O3/c1-11(2)6-5-7-12(3)17-15(19)10-18-9-8-14(13(18)4)16(20)21/h11-14H,5-10H2,1-4H3,(H,17,19)(H,20,21)
InChIKeyLQOLZEWOBPAPQK-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.11
Rot. Bonds8

About 2-methyl-1-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid

2-methyl-1-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid (PubChem CID 79371522) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-methyl-1-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
PubChem CID79371522
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name2-methyl-1-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
SMILESCC(C)CCCC(C)NC(=O)CN1CCC(C(=O)O)C1C
InChIInChI=1S/C16H30N2O3/c1-11(2)6-5-7-12(3)17-15(19)10-18-9-8-14(13(18)4)16(20)21/h11-14H,5-10H2,1-4H3,(H,17,19)(H,20,21)
InChIKeyLQOLZEWOBPAPQK-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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 2-methyl-1-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid (CID 79371522) is 2-methyl-1-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-methyl-1-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid is CC(C)CCCC(C)NC(=O)CN1CCC(C(=O)O)C1C.
What is the InChIKey of 2-methyl-1-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The InChIKey is LQOLZEWOBPAPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-11(2)6-5-7-12(3)17-15(19)10-18-9-8-14(13(18)4)16(20)21/h11-14H,5-10H2,1-4H3,(H,17,19)(H,20,21).
What are the key properties of 2-methyl-1-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid?
2-methyl-1-[2-(6-methylheptan-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 2-methyl-1-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79371522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).