tert-butyl (2R)-3-methyl-2-(pyrrolidine-1-carbonylamino)butanoate

C14H26N2O3 — CID 113322495

IUPACtert-butyl (2R)-3-methyl-2-(pyrrolidine-1-carbonylamino)butanoate
SMILESCC(C)[C@@H](NC(=O)N1CCCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H26N2O3/c1-10(2)11(12(17)19-14(3,4)5)15-13(18)16-8-6-7-9-16/h10-11H,6-9H2,1-5H3,(H,15,18)/t11-/m1/s1
InChIKeyAQEGJPQACAPREZ-LLVKDONJSA-N
MW270.37 g/mol
LogP2.16
Rot. Bonds3

About tert-butyl (2R)-3-methyl-2-(pyrrolidine-1-carbonylamino)butanoate

tert-butyl (2R)-3-methyl-2-(pyrrolidine-1-carbonylamino)butanoate (PubChem CID 113322495) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is tert-butyl (2R)-3-methyl-2-(pyrrolidine-1-carbonylamino)butanoate.

Molecular Properties

Compound Nametert-butyl (2R)-3-methyl-2-(pyrrolidine-1-carbonylamino)butanoate
PubChem CID113322495
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nametert-butyl (2R)-3-methyl-2-(pyrrolidine-1-carbonylamino)butanoate
SMILESCC(C)[C@@H](NC(=O)N1CCCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H26N2O3/c1-10(2)11(12(17)19-14(3,4)5)15-13(18)16-8-6-7-9-16/h10-11H,6-9H2,1-5H3,(H,15,18)/t11-/m1/s1
InChIKeyAQEGJPQACAPREZ-LLVKDONJSA-N
XLogP2.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(azocane-1-carbonylamino)-3-methylbutanoic acid
CID 79010449
tert-butyl (2R)-3-methyl-2-(propan-2-ylcarbamoylamino)butanoate
CID 113331473
tert-butyl (2S)-2-(cyclopropanecarbonylamino)-3-methylbutanoate
CID 80707687
tert-butyl N-[1-(azocan-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate
CID 142133698
tert-butyl (2R)-3-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]butanoate
CID 81003648
tert-butyl (2R)-2-(morpholine-4-carbonylamino)propanoate
CID 80979649
tert-butyl (2R)-3-methyl-2-[[(2S)-oxolane-2-carbonyl]amino]butanoate
CID 103873195
tert-butyl (2R)-3-methyl-2-(propan-2-yloxycarbonylamino)butanoate
CID 113331474
(2S)-3-methyl-2-[[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamoylamino]butanoic acid
CID 46900799
2-[[(2R)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]amino]but-2-enoic acid
CID 173252164
tert-butyl (2R)-2-(tert-butylcarbamoylamino)-3-methylbutanoate
CID 113331477
tert-butyl 2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoate
CID 12944652

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-3-methyl-2-(pyrrolidine-1-carbonylamino)butanoate?
The IUPAC name of tert-butyl (2R)-3-methyl-2-(pyrrolidine-1-carbonylamino)butanoate (CID 113322495) is tert-butyl (2R)-3-methyl-2-(pyrrolidine-1-carbonylamino)butanoate.
What is the SMILES notation for tert-butyl (2R)-3-methyl-2-(pyrrolidine-1-carbonylamino)butanoate?
The canonical SMILES for tert-butyl (2R)-3-methyl-2-(pyrrolidine-1-carbonylamino)butanoate is CC(C)[C@@H](NC(=O)N1CCCC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-3-methyl-2-(pyrrolidine-1-carbonylamino)butanoate?
The InChIKey is AQEGJPQACAPREZ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10(2)11(12(17)19-14(3,4)5)15-13(18)16-8-6-7-9-16/h10-11H,6-9H2,1-5H3,(H,15,18)/t11-/m1/s1.
What are the key properties of tert-butyl (2R)-3-methyl-2-(pyrrolidine-1-carbonylamino)butanoate?
tert-butyl (2R)-3-methyl-2-(pyrrolidine-1-carbonylamino)butanoate has a molecular weight of 270.37 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-3-methyl-2-(pyrrolidine-1-carbonylamino)butanoate is sourced from PubChem (CID 113322495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).