3-[propan-2-yl-(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid

C14H26N2O3 — CID 106980309

IUPAC3-[propan-2-yl-(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid
SMILESCC(C)N(CCC(=O)O)C(=O)C1(C(C)C)CCNC1
InChIInChI=1S/C14H26N2O3/c1-10(2)14(6-7-15-9-14)13(19)16(11(3)4)8-5-12(17)18/h10-11,15H,5-9H2,1-4H3,(H,17,18)
InChIKeyJFSPBCWWXUAGOC-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.33
Rot. Bonds6

About 3-[propan-2-yl-(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid

3-[propan-2-yl-(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid (PubChem CID 106980309) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-[propan-2-yl-(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[propan-2-yl-(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid
PubChem CID106980309
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name3-[propan-2-yl-(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid
SMILESCC(C)N(CCC(=O)O)C(=O)C1(C(C)C)CCNC1
InChIInChI=1S/C14H26N2O3/c1-10(2)14(6-7-15-9-14)13(19)16(11(3)4)8-5-12(17)18/h10-11,15H,5-9H2,1-4H3,(H,17,18)
InChIKeyJFSPBCWWXUAGOC-UHFFFAOYSA-N
XLogP1.33
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[tert-butyl-(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 106980310
N-(2-hydroxyethyl)-N-pentan-3-yl-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980479
N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980192
3-[(1-aminocyclohexanecarbonyl)-propan-2-ylamino]propanoic acid
CID 61161466
N-methyl-N-(2-methylpropyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979682
N-hexyl-N-(2-hydroxyethyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980166
N-[2-[methyl(propan-2-yl)amino]ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980592
N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980154
N-ethylsulfonyl-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981399
N-[3-[methyl(propan-2-yl)amino]propyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106047817
3-propan-2-ylpyrrolidine-3-carbohydrazide
CID 106980734
N-methyl-N-(2-phenoxyethyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980020

Frequently Asked Questions

What is the IUPAC name of 3-[propan-2-yl-(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[propan-2-yl-(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid (CID 106980309) is 3-[propan-2-yl-(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[propan-2-yl-(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[propan-2-yl-(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid is CC(C)N(CCC(=O)O)C(=O)C1(C(C)C)CCNC1.
What is the InChIKey of 3-[propan-2-yl-(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid?
The InChIKey is JFSPBCWWXUAGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10(2)14(6-7-15-9-14)13(19)16(11(3)4)8-5-12(17)18/h10-11,15H,5-9H2,1-4H3,(H,17,18).
What are the key properties of 3-[propan-2-yl-(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid?
3-[propan-2-yl-(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid has a molecular weight of 270.37 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[propan-2-yl-(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 106980309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).