N-[(3R,4R)-1-(2-ethoxyacetyl)-4-hydroxypyrrolidin-3-yl]acetamide

C10H18N2O4 — CID 110132984

IUPACN-[(3R,4R)-1-(2-ethoxyacetyl)-4-hydroxypyrrolidin-3-yl]acetamide
SMILESCCOCC(=O)N1C[C@@H](O)[C@H](NC(C)=O)C1
InChIInChI=1S/C10H18N2O4/c1-3-16-6-10(15)12-4-8(9(14)5-12)11-7(2)13/h8-9,14H,3-6H2,1-2H3,(H,11,13)/t8-,9-/m1/s1
InChIKeyCJNGOJCVOXBNHJ-RKDXNWHRSA-N
MW230.26 g/mol
LogP-1.27
Rot. Bonds4

About N-[(3R,4R)-1-(2-ethoxyacetyl)-4-hydroxypyrrolidin-3-yl]acetamide

N-[(3R,4R)-1-(2-ethoxyacetyl)-4-hydroxypyrrolidin-3-yl]acetamide (PubChem CID 110132984) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is N-[(3R,4R)-1-(2-ethoxyacetyl)-4-hydroxypyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R,4R)-1-(2-ethoxyacetyl)-4-hydroxypyrrolidin-3-yl]acetamide
PubChem CID110132984
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC NameN-[(3R,4R)-1-(2-ethoxyacetyl)-4-hydroxypyrrolidin-3-yl]acetamide
SMILESCCOCC(=O)N1C[C@@H](O)[C@H](NC(C)=O)C1
InChIInChI=1S/C10H18N2O4/c1-3-16-6-10(15)12-4-8(9(14)5-12)11-7(2)13/h8-9,14H,3-6H2,1-2H3,(H,11,13)/t8-,9-/m1/s1
InChIKeyCJNGOJCVOXBNHJ-RKDXNWHRSA-N
XLogP-1.27
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-1-(2-ethoxyacetyl)-4-hydroxypyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3R,4R)-1-(2-ethoxyacetyl)-4-hydroxypyrrolidin-3-yl]acetamide (CID 110132984) is N-[(3R,4R)-1-(2-ethoxyacetyl)-4-hydroxypyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R,4R)-1-(2-ethoxyacetyl)-4-hydroxypyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3R,4R)-1-(2-ethoxyacetyl)-4-hydroxypyrrolidin-3-yl]acetamide is CCOCC(=O)N1C[C@@H](O)[C@H](NC(C)=O)C1.
What is the InChIKey of N-[(3R,4R)-1-(2-ethoxyacetyl)-4-hydroxypyrrolidin-3-yl]acetamide?
The InChIKey is CJNGOJCVOXBNHJ-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-3-16-6-10(15)12-4-8(9(14)5-12)11-7(2)13/h8-9,14H,3-6H2,1-2H3,(H,11,13)/t8-,9-/m1/s1.
What are the key properties of N-[(3R,4R)-1-(2-ethoxyacetyl)-4-hydroxypyrrolidin-3-yl]acetamide?
N-[(3R,4R)-1-(2-ethoxyacetyl)-4-hydroxypyrrolidin-3-yl]acetamide has a molecular weight of 230.26 g/mol, XLogP of -1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-1-(2-ethoxyacetyl)-4-hydroxypyrrolidin-3-yl]acetamide is sourced from PubChem (CID 110132984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).