2-[2-[cyclopropyl(methyl)amino]-2-methylpropyl]-3,3,4-trimethylpentanoic acid

C16H31NO2 — CID 123308782

IUPAC2-[2-[cyclopropyl(methyl)amino]-2-methylpropyl]-3,3,4-trimethylpentanoic acid
SMILESCC(C)C(C)(C)C(CC(C)(C)N(C)C1CC1)C(=O)O
InChIInChI=1S/C16H31NO2/c1-11(2)16(5,6)13(14(18)19)10-15(3,4)17(7)12-8-9-12/h11-13H,8-10H2,1-7H3,(H,18,19)
InChIKeyDCTDGKINRQSYHM-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.63
Rot. Bonds7

About 2-[2-[cyclopropyl(methyl)amino]-2-methylpropyl]-3,3,4-trimethylpentanoic acid

2-[2-[cyclopropyl(methyl)amino]-2-methylpropyl]-3,3,4-trimethylpentanoic acid (PubChem CID 123308782) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-[2-[cyclopropyl(methyl)amino]-2-methylpropyl]-3,3,4-trimethylpentanoic acid.

Molecular Properties

Compound Name2-[2-[cyclopropyl(methyl)amino]-2-methylpropyl]-3,3,4-trimethylpentanoic acid
PubChem CID123308782
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name2-[2-[cyclopropyl(methyl)amino]-2-methylpropyl]-3,3,4-trimethylpentanoic acid
SMILESCC(C)C(C)(C)C(CC(C)(C)N(C)C1CC1)C(=O)O
InChIInChI=1S/C16H31NO2/c1-11(2)16(5,6)13(14(18)19)10-15(3,4)17(7)12-8-9-12/h11-13H,8-10H2,1-7H3,(H,18,19)
InChIKeyDCTDGKINRQSYHM-UHFFFAOYSA-N
XLogP3.63
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropyl(methyl)amino]-2-methylpropyl]-3,3,4-trimethylpentanoic acid?
The IUPAC name of 2-[2-[cyclopropyl(methyl)amino]-2-methylpropyl]-3,3,4-trimethylpentanoic acid (CID 123308782) is 2-[2-[cyclopropyl(methyl)amino]-2-methylpropyl]-3,3,4-trimethylpentanoic acid.
What is the SMILES notation for 2-[2-[cyclopropyl(methyl)amino]-2-methylpropyl]-3,3,4-trimethylpentanoic acid?
The canonical SMILES for 2-[2-[cyclopropyl(methyl)amino]-2-methylpropyl]-3,3,4-trimethylpentanoic acid is CC(C)C(C)(C)C(CC(C)(C)N(C)C1CC1)C(=O)O.
What is the InChIKey of 2-[2-[cyclopropyl(methyl)amino]-2-methylpropyl]-3,3,4-trimethylpentanoic acid?
The InChIKey is DCTDGKINRQSYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-11(2)16(5,6)13(14(18)19)10-15(3,4)17(7)12-8-9-12/h11-13H,8-10H2,1-7H3,(H,18,19).
What are the key properties of 2-[2-[cyclopropyl(methyl)amino]-2-methylpropyl]-3,3,4-trimethylpentanoic acid?
2-[2-[cyclopropyl(methyl)amino]-2-methylpropyl]-3,3,4-trimethylpentanoic acid has a molecular weight of 269.43 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropyl(methyl)amino]-2-methylpropyl]-3,3,4-trimethylpentanoic acid is sourced from PubChem (CID 123308782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).