2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide

C10H20N2O2 — CID 129367745

IUPAC2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CC[C@@H](CO)C1
InChIInChI=1S/C10H20N2O2/c1-8(2)11-10(14)6-12-4-3-9(5-12)7-13/h8-9,13H,3-7H2,1-2H3,(H,11,14)/t9-/m1/s1
InChIKeyNNWDBYMJLGZQEB-SECBINFHSA-N
MW200.28 g/mol
LogP-0.17
Rot. Bonds4

About 2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide

2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide (PubChem CID 129367745) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide
PubChem CID129367745
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CC[C@@H](CO)C1
InChIInChI=1S/C10H20N2O2/c1-8(2)11-10(14)6-12-4-3-9(5-12)7-13/h8-9,13H,3-7H2,1-2H3,(H,11,14)/t9-/m1/s1
InChIKeyNNWDBYMJLGZQEB-SECBINFHSA-N
XLogP-0.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide (CID 129367745) is 2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CN1CC[C@@H](CO)C1.
What is the InChIKey of 2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is NNWDBYMJLGZQEB-SECBINFHSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8(2)11-10(14)6-12-4-3-9(5-12)7-13/h8-9,13H,3-7H2,1-2H3,(H,11,14)/t9-/m1/s1.
What are the key properties of 2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide?
2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 200.28 g/mol, XLogP of -0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 129367745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).