trans-(1R,3S)-1,2,2-trimethyl-3-(4-methylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid

C15H26N2O3 — CID 769339

IUPACtrans-(1R,3S)-1,2,2-trimethyl-3-(4-methylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid
SMILESCN1CCN(C(=O)[C@H]2CC[C@@](C)(C(=O)O)C2(C)C)CC1
InChIInChI=1S/C15H26N2O3/c1-14(2)11(5-6-15(14,3)13(19)20)12(18)17-9-7-16(4)8-10-17/h11H,5-10H2,1-4H3,(H,19,20)/t11-,15+/m1/s1
InChIKeyYIRVVEBDWNLVHH-ABAIWWIYSA-N
MW282.38 g/mol
LogP1.29
Rot. Bonds2

About trans-(1R,3S)-1,2,2-trimethyl-3-(4-methylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid

trans-(1R,3S)-1,2,2-trimethyl-3-(4-methylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid (PubChem CID 769339) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is trans-(1R,3S)-1,2,2-trimethyl-3-(4-methylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,3S)-1,2,2-trimethyl-3-(4-methylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid
PubChem CID769339
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Nametrans-(1R,3S)-1,2,2-trimethyl-3-(4-methylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid
SMILESCN1CCN(C(=O)[C@H]2CC[C@@](C)(C(=O)O)C2(C)C)CC1
InChIInChI=1S/C15H26N2O3/c1-14(2)11(5-6-15(14,3)13(19)20)12(18)17-9-7-16(4)8-10-17/h11H,5-10H2,1-4H3,(H,19,20)/t11-,15+/m1/s1
InChIKeyYIRVVEBDWNLVHH-ABAIWWIYSA-N
XLogP1.29
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,3S)-1,2,2-trimethyl-3-(4-methylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid?
The IUPAC name of trans-(1R,3S)-1,2,2-trimethyl-3-(4-methylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid (CID 769339) is trans-(1R,3S)-1,2,2-trimethyl-3-(4-methylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,3S)-1,2,2-trimethyl-3-(4-methylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for trans-(1R,3S)-1,2,2-trimethyl-3-(4-methylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid is CN1CCN(C(=O)[C@H]2CC[C@@](C)(C(=O)O)C2(C)C)CC1.
What is the InChIKey of trans-(1R,3S)-1,2,2-trimethyl-3-(4-methylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid?
The InChIKey is YIRVVEBDWNLVHH-ABAIWWIYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-14(2)11(5-6-15(14,3)13(19)20)12(18)17-9-7-16(4)8-10-17/h11H,5-10H2,1-4H3,(H,19,20)/t11-,15+/m1/s1.
What are the key properties of trans-(1R,3S)-1,2,2-trimethyl-3-(4-methylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid?
trans-(1R,3S)-1,2,2-trimethyl-3-(4-methylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3S)-1,2,2-trimethyl-3-(4-methylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 769339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).