tert-butyl (2R)-3-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]butanoate

C15H28N2O3 — CID 81003648

IUPACtert-butyl (2R)-3-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]butanoate
SMILESCC(C)[C@@H](NC(=O)C1CCN(C)C1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O3/c1-10(2)12(14(19)20-15(3,4)5)16-13(18)11-7-8-17(6)9-11/h10-12H,7-9H2,1-6H3,(H,16,18)/t11?,12-/m1/s1
InChIKeyZSTZZBACMTVSJQ-PIJUOVFKSA-N
MW284.40 g/mol
LogP1.42
Rot. Bonds4

About tert-butyl (2R)-3-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]butanoate

tert-butyl (2R)-3-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]butanoate (PubChem CID 81003648) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is tert-butyl (2R)-3-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]butanoate.

Molecular Properties

Compound Nametert-butyl (2R)-3-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]butanoate
PubChem CID81003648
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nametert-butyl (2R)-3-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]butanoate
SMILESCC(C)[C@@H](NC(=O)C1CCN(C)C1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O3/c1-10(2)12(14(19)20-15(3,4)5)16-13(18)11-7-8-17(6)9-11/h10-12H,7-9H2,1-6H3,(H,16,18)/t11?,12-/m1/s1
InChIKeyZSTZZBACMTVSJQ-PIJUOVFKSA-N
XLogP1.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2S)-2-(cyclopropanecarbonylamino)-3-methylbutanoate
CID 80707687
(2R)-3-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 79010718
tert-butyl (2S)-3-methyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoate
CID 80703356
tert-butyl (2S)-3-methyl-2-(pyrrolidine-3-carbonylamino)butanoate
CID 175766153
tert-butyl 2-[[(1R,3S)-3-hydroxycyclohexanecarbonyl]amino]-3-methylbutanoate
CID 69439050
N-[(2R)-1-aminopropan-2-yl]-1-methylpyrrolidine-3-carboxamide
CID 104877076
tert-butyl (2R)-3-methyl-2-(pyrrolidine-1-carbonylamino)butanoate
CID 113322495
N-(1-amino-2,3-dimethylbutan-2-yl)-1-methylpyrrolidine-3-carboxamide
CID 115310482
tert-butyl (2R)-3-methyl-2-[[(2S)-oxolane-2-carbonyl]amino]butanoate
CID 103873195
3-methyl-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]amino]butanoic acid
CID 84551294
N-[(2S)-1-hydroxypropan-2-yl]-1-methylpyrrolidine-3-carboxamide
CID 131154627
tert-butyl (2R)-3-methyl-2-(thiolane-2-carbonylamino)butanoate
CID 81004182

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-3-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]butanoate?
The IUPAC name of tert-butyl (2R)-3-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]butanoate (CID 81003648) is tert-butyl (2R)-3-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]butanoate.
What is the SMILES notation for tert-butyl (2R)-3-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]butanoate?
The canonical SMILES for tert-butyl (2R)-3-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]butanoate is CC(C)[C@@H](NC(=O)C1CCN(C)C1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-3-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]butanoate?
The InChIKey is ZSTZZBACMTVSJQ-PIJUOVFKSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-10(2)12(14(19)20-15(3,4)5)16-13(18)11-7-8-17(6)9-11/h10-12H,7-9H2,1-6H3,(H,16,18)/t11?,12-/m1/s1.
What are the key properties of tert-butyl (2R)-3-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]butanoate?
tert-butyl (2R)-3-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]butanoate has a molecular weight of 284.40 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-3-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]butanoate is sourced from PubChem (CID 81003648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).