trans-tert-butyl (1R,3S)-1,2,2-trimethyl-3-(methylcarbamoyl)cyclopentane-1-carboxylate

C15H27NO3 — CID 163987470

IUPACtrans-tert-butyl (1R,3S)-1,2,2-trimethyl-3-(methylcarbamoyl)cyclopentane-1-carboxylate
SMILESCNC(=O)[C@H]1CC[C@@](C)(C(=O)OC(C)(C)C)C1(C)C
InChIInChI=1S/C15H27NO3/c1-13(2,3)19-12(18)15(6)9-8-10(11(17)16-7)14(15,4)5/h10H,8-9H2,1-7H3,(H,16,17)/t10-,15+/m1/s1
InChIKeyTXPZOWNPLCJZNR-BMIGLBTASA-N
MW269.38 g/mol
LogP2.52
Rot. Bonds2

About trans-tert-butyl (1R,3S)-1,2,2-trimethyl-3-(methylcarbamoyl)cyclopentane-1-carboxylate

trans-tert-butyl (1R,3S)-1,2,2-trimethyl-3-(methylcarbamoyl)cyclopentane-1-carboxylate (PubChem CID 163987470) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is trans-tert-butyl (1R,3S)-1,2,2-trimethyl-3-(methylcarbamoyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nametrans-tert-butyl (1R,3S)-1,2,2-trimethyl-3-(methylcarbamoyl)cyclopentane-1-carboxylate
PubChem CID163987470
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Nametrans-tert-butyl (1R,3S)-1,2,2-trimethyl-3-(methylcarbamoyl)cyclopentane-1-carboxylate
SMILESCNC(=O)[C@H]1CC[C@@](C)(C(=O)OC(C)(C)C)C1(C)C
InChIInChI=1S/C15H27NO3/c1-13(2,3)19-12(18)15(6)9-8-10(11(17)16-7)14(15,4)5/h10H,8-9H2,1-7H3,(H,16,17)/t10-,15+/m1/s1
InChIKeyTXPZOWNPLCJZNR-BMIGLBTASA-N
XLogP2.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-dimethyl (1S,3S)-1,2,2-trimethylcyclopentane-1,3-dicarboxylate
CID 6542164
3-(tert-butylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylate
CID 4675095
tert-butyl 2-methylspiro[2.2]pentane-2-carboxylate
CID 130268262
1,2,2-trimethylcyclopentane-1,3-dicarboperoxoic acid
CID 13092881
2-[[(1R,3R)-3-(carboxymethylcarbamoyl)-2,2,3-trimethylcyclopentanecarbonyl]amino]acetic acid
CID 135255076
trans-(1R,3S)-N,2,2,3-tetramethyl-3-[3-(2-methylphenoxy)azetidine-1-carbonyl]cyclopentane-1-carboxamide
CID 133135042
1,2,2-trimethylcyclopentane-1,3-dicarbonyl bromide
CID 91003071
3-(dimethylaminocarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid
CID 3114926
cis-(1R,3R)-3-(dimethylaminocarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid
CID 794349
2-[2-[[(1R,3S)-1,2,2-trimethyl-3-(methylcarbamoyl)cyclopentanecarbonyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 118779145
ditert-butyl 2-ethylcyclobutane-1,1-dicarboxylate
CID 175257362
trans-(1S,3R)-3-N-ethyl-1-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)-1,2,2-trimethylcyclopentane-1,3-dicarboxamide
CID 133111367

Frequently Asked Questions

What is the IUPAC name of trans-tert-butyl (1R,3S)-1,2,2-trimethyl-3-(methylcarbamoyl)cyclopentane-1-carboxylate?
The IUPAC name of trans-tert-butyl (1R,3S)-1,2,2-trimethyl-3-(methylcarbamoyl)cyclopentane-1-carboxylate (CID 163987470) is trans-tert-butyl (1R,3S)-1,2,2-trimethyl-3-(methylcarbamoyl)cyclopentane-1-carboxylate.
What is the SMILES notation for trans-tert-butyl (1R,3S)-1,2,2-trimethyl-3-(methylcarbamoyl)cyclopentane-1-carboxylate?
The canonical SMILES for trans-tert-butyl (1R,3S)-1,2,2-trimethyl-3-(methylcarbamoyl)cyclopentane-1-carboxylate is CNC(=O)[C@H]1CC[C@@](C)(C(=O)OC(C)(C)C)C1(C)C.
What is the InChIKey of trans-tert-butyl (1R,3S)-1,2,2-trimethyl-3-(methylcarbamoyl)cyclopentane-1-carboxylate?
The InChIKey is TXPZOWNPLCJZNR-BMIGLBTASA-N. The full InChI is InChI=1S/C15H27NO3/c1-13(2,3)19-12(18)15(6)9-8-10(11(17)16-7)14(15,4)5/h10H,8-9H2,1-7H3,(H,16,17)/t10-,15+/m1/s1.
What are the key properties of trans-tert-butyl (1R,3S)-1,2,2-trimethyl-3-(methylcarbamoyl)cyclopentane-1-carboxylate?
trans-tert-butyl (1R,3S)-1,2,2-trimethyl-3-(methylcarbamoyl)cyclopentane-1-carboxylate has a molecular weight of 269.38 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-tert-butyl (1R,3S)-1,2,2-trimethyl-3-(methylcarbamoyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 163987470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).