tert-butyl 2-[butyl(methyl)carbamoyl]pyrrolidine-1-carboxylate

C15H28N2O3 — CID 110415924

IUPACtert-butyl 2-[butyl(methyl)carbamoyl]pyrrolidine-1-carboxylate
SMILESCCCCN(C)C(=O)C1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O3/c1-6-7-10-16(5)13(18)12-9-8-11-17(12)14(19)20-15(2,3)4/h12H,6-11H2,1-5H3
InChIKeyVEZXPFXOKFQLST-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.64
Rot. Bonds4

About tert-butyl 2-[butyl(methyl)carbamoyl]pyrrolidine-1-carboxylate

tert-butyl 2-[butyl(methyl)carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 110415924) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is tert-butyl 2-[butyl(methyl)carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[butyl(methyl)carbamoyl]pyrrolidine-1-carboxylate
PubChem CID110415924
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nametert-butyl 2-[butyl(methyl)carbamoyl]pyrrolidine-1-carboxylate
SMILESCCCCN(C)C(=O)C1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O3/c1-6-7-10-16(5)13(18)12-9-8-11-17(12)14(19)20-15(2,3)4/h12H,6-11H2,1-5H3
InChIKeyVEZXPFXOKFQLST-UHFFFAOYSA-N
XLogP2.64
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

butane;ethane;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 145080394
1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;propane
CID 144591642
tert-butyl (2R)-2-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate
CID 10635916
1-O-tert-butyl 2-O-hex-1-en-2-yl pyrrolidine-1,2-dicarboxylate
CID 73010431
2-O-butyl 1-O-tert-butyl (2R)-piperidine-1,2-dicarboxylate
CID 67523029
tert-butyl 2-(2,2-dimethylpropanoyl)pyrrolidine-1-carboxylate
CID 15309799
1-O-tert-butyl 2-O-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl] pyrrolidine-1,2-dicarboxylate
CID 14237873
tert-butyl (2S)-2-carbonofluoridoylpyrrolidine-1-carboxylate
CID 10878587
tert-butyl (2S)-2-butanoylpiperidine-1-carboxylate
CID 165464367
cyclopropylmethyl (2S)-2-[3-hydroxypropyl(methyl)carbamoyl]pyrrolidine-1-carboxylate
CID 168971647
tert-butyl 2-butoxypyrrolidine-1-carboxylate
CID 90863874
1-O-tert-butyl 2-O-methyl pyrrolidine-1,2-dicarboxylate;ethane
CID 143353751

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[butyl(methyl)carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[butyl(methyl)carbamoyl]pyrrolidine-1-carboxylate (CID 110415924) is tert-butyl 2-[butyl(methyl)carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[butyl(methyl)carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[butyl(methyl)carbamoyl]pyrrolidine-1-carboxylate is CCCCN(C)C(=O)C1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[butyl(methyl)carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is VEZXPFXOKFQLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-6-7-10-16(5)13(18)12-9-8-11-17(12)14(19)20-15(2,3)4/h12H,6-11H2,1-5H3.
What are the key properties of tert-butyl 2-[butyl(methyl)carbamoyl]pyrrolidine-1-carboxylate?
tert-butyl 2-[butyl(methyl)carbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 284.40 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[butyl(methyl)carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 110415924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).