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

C15H28N2O3 — CID 106980310

IUPAC3-[tert-butyl-(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid
SMILESCC(C)C1(C(=O)N(CCC(=O)O)C(C)(C)C)CCNC1
InChIInChI=1S/C15H28N2O3/c1-11(2)15(7-8-16-10-15)13(20)17(14(3,4)5)9-6-12(18)19/h11,16H,6-10H2,1-5H3,(H,18,19)
InChIKeyNDBVZOJFPBXXII-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.72
Rot. Bonds5

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

3-[tert-butyl-(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid (PubChem CID 106980310) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-[tert-butyl-(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[tert-butyl-(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid
PubChem CID106980310
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name3-[tert-butyl-(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid
SMILESCC(C)C1(C(=O)N(CCC(=O)O)C(C)(C)C)CCNC1
InChIInChI=1S/C15H28N2O3/c1-11(2)15(7-8-16-10-15)13(20)17(14(3,4)5)9-6-12(18)19/h11,16H,6-10H2,1-5H3,(H,18,19)
InChIKeyNDBVZOJFPBXXII-UHFFFAOYSA-N
XLogP1.72
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[propan-2-yl-(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 106980309
3-[tert-butyl-(4-ethylpiperidine-4-carbonyl)amino]propanoic acid
CID 63128579
N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980192
N-methyl-N-(2-methylpropyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979682
N-(2,2-dimethylpropyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980333
3-[(1-aminocyclopropanecarbonyl)-tert-butylamino]propanoic acid
CID 65464697
N-hexyl-N-(2-hydroxyethyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980166
N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980154
N-(2-hydroxyethyl)-N-pentan-3-yl-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980479
N-(3,3-dimethylbutan-2-yl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981240
2-cyclopropyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 106980294
N-cyclopentyl-3-propan-2-yl-N-prop-2-enylpyrrolidine-3-carboxamide
CID 106980144

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl-(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[tert-butyl-(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid (CID 106980310) is 3-[tert-butyl-(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[tert-butyl-(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[tert-butyl-(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid is CC(C)C1(C(=O)N(CCC(=O)O)C(C)(C)C)CCNC1.
What is the InChIKey of 3-[tert-butyl-(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid?
The InChIKey is NDBVZOJFPBXXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-11(2)15(7-8-16-10-15)13(20)17(14(3,4)5)9-6-12(18)19/h11,16H,6-10H2,1-5H3,(H,18,19).
What are the key properties of 3-[tert-butyl-(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid?
3-[tert-butyl-(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid has a molecular weight of 284.40 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl-(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 106980310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).