4,4-dimethyl-2-[[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]methyl]pentanoic acid

C16H30N2O3 — CID 107474506

IUPAC4,4-dimethyl-2-[[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]methyl]pentanoic acid
SMILESCC(C)C1CCCN1C(=O)NCC(CC(C)(C)C)C(=O)O
InChIInChI=1S/C16H30N2O3/c1-11(2)13-7-6-8-18(13)15(21)17-10-12(14(19)20)9-16(3,4)5/h11-13H,6-10H2,1-5H3,(H,17,21)(H,19,20)
InChIKeyWAYUZICAUSFTNS-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.95
Rot. Bonds5

About 4,4-dimethyl-2-[[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]methyl]pentanoic acid

4,4-dimethyl-2-[[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]methyl]pentanoic acid (PubChem CID 107474506) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 4,4-dimethyl-2-[[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name4,4-dimethyl-2-[[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]methyl]pentanoic acid
PubChem CID107474506
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name4,4-dimethyl-2-[[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]methyl]pentanoic acid
SMILESCC(C)C1CCCN1C(=O)NCC(CC(C)(C)C)C(=O)O
InChIInChI=1S/C16H30N2O3/c1-11(2)13-7-6-8-18(13)15(21)17-10-12(14(19)20)9-16(3,4)5/h11-13H,6-10H2,1-5H3,(H,17,21)(H,19,20)
InChIKeyWAYUZICAUSFTNS-UHFFFAOYSA-N
XLogP2.95
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]methyl]pentanoic acid?
The IUPAC name of 4,4-dimethyl-2-[[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]methyl]pentanoic acid (CID 107474506) is 4,4-dimethyl-2-[[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]methyl]pentanoic acid.
What is the SMILES notation for 4,4-dimethyl-2-[[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]methyl]pentanoic acid?
The canonical SMILES for 4,4-dimethyl-2-[[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]methyl]pentanoic acid is CC(C)C1CCCN1C(=O)NCC(CC(C)(C)C)C(=O)O.
What is the InChIKey of 4,4-dimethyl-2-[[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]methyl]pentanoic acid?
The InChIKey is WAYUZICAUSFTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-11(2)13-7-6-8-18(13)15(21)17-10-12(14(19)20)9-16(3,4)5/h11-13H,6-10H2,1-5H3,(H,17,21)(H,19,20).
What are the key properties of 4,4-dimethyl-2-[[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]methyl]pentanoic acid?
4,4-dimethyl-2-[[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]methyl]pentanoic acid has a molecular weight of 298.43 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]methyl]pentanoic acid is sourced from PubChem (CID 107474506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).