(4R)-1-tert-butyl-4-[[(2R)-1-(oxan-4-yl)propan-2-yl]amino]pyrrolidin-2-one

C16H30N2O2 — CID 97102129

IUPAC(4R)-1-tert-butyl-4-[[(2R)-1-(oxan-4-yl)propan-2-yl]amino]pyrrolidin-2-one
SMILESC[C@H](CC1CCOCC1)N[C@@H]1CC(=O)N(C(C)(C)C)C1
InChIInChI=1S/C16H30N2O2/c1-12(9-13-5-7-20-8-6-13)17-14-10-15(19)18(11-14)16(2,3)4/h12-14,17H,5-11H2,1-4H3/t12-,14-/m1/s1
InChIKeyFSFCPSSKGJZHRS-TZMCWYRMSA-N
MW282.43 g/mol
LogP2.18
Rot. Bonds4

About (4R)-1-tert-butyl-4-[[(2R)-1-(oxan-4-yl)propan-2-yl]amino]pyrrolidin-2-one

(4R)-1-tert-butyl-4-[[(2R)-1-(oxan-4-yl)propan-2-yl]amino]pyrrolidin-2-one (PubChem CID 97102129) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is (4R)-1-tert-butyl-4-[[(2R)-1-(oxan-4-yl)propan-2-yl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-tert-butyl-4-[[(2R)-1-(oxan-4-yl)propan-2-yl]amino]pyrrolidin-2-one
PubChem CID97102129
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name(4R)-1-tert-butyl-4-[[(2R)-1-(oxan-4-yl)propan-2-yl]amino]pyrrolidin-2-one
SMILESC[C@H](CC1CCOCC1)N[C@@H]1CC(=O)N(C(C)(C)C)C1
InChIInChI=1S/C16H30N2O2/c1-12(9-13-5-7-20-8-6-13)17-14-10-15(19)18(11-14)16(2,3)4/h12-14,17H,5-11H2,1-4H3/t12-,14-/m1/s1
InChIKeyFSFCPSSKGJZHRS-TZMCWYRMSA-N
XLogP2.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R)-1-tert-butyl-4-[[(2R)-1-(oxan-4-yl)propan-2-yl]amino]pyrrolidin-2-one with MolForge

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Related Compounds

1-cyclopropyl-4-(1-cyclopropylpropan-2-ylamino)pyrrolidin-2-one
CID 115892571
N-[1-(oxan-4-yl)propan-2-yl]cyclopentanamine
CID 115704973
N-(1-cyclopropylpropan-2-yl)oxan-4-amine
CID 63989117
(2R)-N-chloro-1-(oxan-4-yl)propan-2-amine
CID 90382614
1-tert-butyl-5-(methylamino)piperidin-2-one
CID 83696926
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-piperidin-3-ylbutanamide
CID 119818276
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(methylamino)acetamide
CID 83632195
1-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-cyclohexylurea
CID 110749319
4-amino-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)butanamide;hydrochloride
CID 119343412
2-[(1-tert-butyl-5-oxopyrrolidin-3-yl)carbamoylamino]-4-methylpentanoic acid
CID 108876082
1-[3-(oxolan-3-ylamino)butyl]pyrrolidin-2-one
CID 115718781
1-tert-butyl-4-(2-methyl-6-nitroanilino)pyrrolidin-2-one
CID 133341840

Frequently Asked Questions

What is the IUPAC name of (4R)-1-tert-butyl-4-[[(2R)-1-(oxan-4-yl)propan-2-yl]amino]pyrrolidin-2-one?
The IUPAC name of (4R)-1-tert-butyl-4-[[(2R)-1-(oxan-4-yl)propan-2-yl]amino]pyrrolidin-2-one (CID 97102129) is (4R)-1-tert-butyl-4-[[(2R)-1-(oxan-4-yl)propan-2-yl]amino]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-tert-butyl-4-[[(2R)-1-(oxan-4-yl)propan-2-yl]amino]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-tert-butyl-4-[[(2R)-1-(oxan-4-yl)propan-2-yl]amino]pyrrolidin-2-one is C[C@H](CC1CCOCC1)N[C@@H]1CC(=O)N(C(C)(C)C)C1.
What is the InChIKey of (4R)-1-tert-butyl-4-[[(2R)-1-(oxan-4-yl)propan-2-yl]amino]pyrrolidin-2-one?
The InChIKey is FSFCPSSKGJZHRS-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-12(9-13-5-7-20-8-6-13)17-14-10-15(19)18(11-14)16(2,3)4/h12-14,17H,5-11H2,1-4H3/t12-,14-/m1/s1.
What are the key properties of (4R)-1-tert-butyl-4-[[(2R)-1-(oxan-4-yl)propan-2-yl]amino]pyrrolidin-2-one?
(4R)-1-tert-butyl-4-[[(2R)-1-(oxan-4-yl)propan-2-yl]amino]pyrrolidin-2-one has a molecular weight of 282.43 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-tert-butyl-4-[[(2R)-1-(oxan-4-yl)propan-2-yl]amino]pyrrolidin-2-one is sourced from PubChem (CID 97102129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).