(4R,5S)-4-amino-5-propan-2-ylpyrrolidin-2-one

C7H14N2O — CID 55285334

IUPAC(4R,5S)-4-amino-5-propan-2-ylpyrrolidin-2-one
SMILESCC(C)[C@@H]1NC(=O)C[C@H]1N
InChIInChI=1S/C7H14N2O/c1-4(2)7-5(8)3-6(10)9-7/h4-5,7H,3,8H2,1-2H3,(H,9,10)/t5-,7+/m1/s1
InChIKeyAEPSAOLIERMLCO-VDTYLAMSSA-N
MW142.20 g/mol
LogP-0.14
Rot. Bonds1

About (4R,5S)-4-amino-5-propan-2-ylpyrrolidin-2-one

(4R,5S)-4-amino-5-propan-2-ylpyrrolidin-2-one (PubChem CID 55285334) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is (4R,5S)-4-amino-5-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-4-amino-5-propan-2-ylpyrrolidin-2-one
PubChem CID55285334
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name(4R,5S)-4-amino-5-propan-2-ylpyrrolidin-2-one
SMILESCC(C)[C@@H]1NC(=O)C[C@H]1N
InChIInChI=1S/C7H14N2O/c1-4(2)7-5(8)3-6(10)9-7/h4-5,7H,3,8H2,1-2H3,(H,9,10)/t5-,7+/m1/s1
InChIKeyAEPSAOLIERMLCO-VDTYLAMSSA-N
XLogP-0.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-amino-5-propan-2-ylpyrrolidin-2-one?
The IUPAC name of (4R,5S)-4-amino-5-propan-2-ylpyrrolidin-2-one (CID 55285334) is (4R,5S)-4-amino-5-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for (4R,5S)-4-amino-5-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for (4R,5S)-4-amino-5-propan-2-ylpyrrolidin-2-one is CC(C)[C@@H]1NC(=O)C[C@H]1N.
What is the InChIKey of (4R,5S)-4-amino-5-propan-2-ylpyrrolidin-2-one?
The InChIKey is AEPSAOLIERMLCO-VDTYLAMSSA-N. The full InChI is InChI=1S/C7H14N2O/c1-4(2)7-5(8)3-6(10)9-7/h4-5,7H,3,8H2,1-2H3,(H,9,10)/t5-,7+/m1/s1.
What are the key properties of (4R,5S)-4-amino-5-propan-2-ylpyrrolidin-2-one?
(4R,5S)-4-amino-5-propan-2-ylpyrrolidin-2-one has a molecular weight of 142.20 g/mol, XLogP of -0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-amino-5-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 55285334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).