N-tert-butyl-3-[(2R)-pyrrolidin-2-yl]propanamide

C11H22N2O — CID 154936756

IUPACN-tert-butyl-3-[(2R)-pyrrolidin-2-yl]propanamide
SMILESCC(C)(C)NC(=O)CC[C@H]1CCCN1
InChIInChI=1S/C11H22N2O/c1-11(2,3)13-10(14)7-6-9-5-4-8-12-9/h9,12H,4-8H2,1-3H3,(H,13,14)/t9-/m1/s1
InChIKeyNYBYXRRANLWVBL-SECBINFHSA-N
MW198.31 g/mol
LogP1.43
Rot. Bonds3

About N-tert-butyl-3-[(2R)-pyrrolidin-2-yl]propanamide

N-tert-butyl-3-[(2R)-pyrrolidin-2-yl]propanamide (PubChem CID 154936756) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-tert-butyl-3-[(2R)-pyrrolidin-2-yl]propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-[(2R)-pyrrolidin-2-yl]propanamide
PubChem CID154936756
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-tert-butyl-3-[(2R)-pyrrolidin-2-yl]propanamide
SMILESCC(C)(C)NC(=O)CC[C@H]1CCCN1
InChIInChI=1S/C11H22N2O/c1-11(2,3)13-10(14)7-6-9-5-4-8-12-9/h9,12H,4-8H2,1-3H3,(H,13,14)/t9-/m1/s1
InChIKeyNYBYXRRANLWVBL-SECBINFHSA-N
XLogP1.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-piperidin-2-ylacetamide
CID 43151334
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-piperidin-2-ylpropanamide
CID 114010587
N-methyl-3-[(2S)-piperidin-2-yl]propanamide
CID 94374343
2-(3-pyrrolidin-2-ylpropanoylamino)propanoic acid
CID 90744178
3,3-dimethyl-N-(2-pyrrolidin-2-ylethyl)butanamide
CID 114793955
N-tert-butyl-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106616037
N-tert-butyl-2-[(2-pyrrolidin-2-ylacetyl)amino]propanamide
CID 112701709
N-[(2S)-1-hydroxypropan-2-yl]-3-piperidin-2-ylpropanamide
CID 107218985
N-(2-cyclohexylethyl)-3-piperidin-2-ylpropanamide
CID 62210016
N-[(2R)-1-hydroxypropan-2-yl]-3-piperidin-2-ylpropanamide
CID 107218481
1-tert-butyl-3-(piperidin-2-ylmethyl)urea
CID 43210550
N-(3-methylpentan-3-yl)-2-pyrrolidin-2-ylacetamide
CID 103811397

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[(2R)-pyrrolidin-2-yl]propanamide?
The IUPAC name of N-tert-butyl-3-[(2R)-pyrrolidin-2-yl]propanamide (CID 154936756) is N-tert-butyl-3-[(2R)-pyrrolidin-2-yl]propanamide.
What is the SMILES notation for N-tert-butyl-3-[(2R)-pyrrolidin-2-yl]propanamide?
The canonical SMILES for N-tert-butyl-3-[(2R)-pyrrolidin-2-yl]propanamide is CC(C)(C)NC(=O)CC[C@H]1CCCN1.
What is the InChIKey of N-tert-butyl-3-[(2R)-pyrrolidin-2-yl]propanamide?
The InChIKey is NYBYXRRANLWVBL-SECBINFHSA-N. The full InChI is InChI=1S/C11H22N2O/c1-11(2,3)13-10(14)7-6-9-5-4-8-12-9/h9,12H,4-8H2,1-3H3,(H,13,14)/t9-/m1/s1.
What are the key properties of N-tert-butyl-3-[(2R)-pyrrolidin-2-yl]propanamide?
N-tert-butyl-3-[(2R)-pyrrolidin-2-yl]propanamide has a molecular weight of 198.31 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[(2R)-pyrrolidin-2-yl]propanamide is sourced from PubChem (CID 154936756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).