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

C11H18N2O3 — CID 110132987

IUPACN-[(3R,4R)-1-(2-cyclopropylacetyl)-4-hydroxypyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CN(C(=O)CC2CC2)C[C@H]1O
InChIInChI=1S/C11H18N2O3/c1-7(14)12-9-5-13(6-10(9)15)11(16)4-8-2-3-8/h8-10,15H,2-6H2,1H3,(H,12,14)/t9-,10-/m1/s1
InChIKeyXTXNVMGVGXHYCI-NXEZZACHSA-N
MW226.28 g/mol
LogP-0.51
Rot. Bonds3

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

N-[(3R,4R)-1-(2-cyclopropylacetyl)-4-hydroxypyrrolidin-3-yl]acetamide (PubChem CID 110132987) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is N-[(3R,4R)-1-(2-cyclopropylacetyl)-4-hydroxypyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R,4R)-1-(2-cyclopropylacetyl)-4-hydroxypyrrolidin-3-yl]acetamide
PubChem CID110132987
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC NameN-[(3R,4R)-1-(2-cyclopropylacetyl)-4-hydroxypyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CN(C(=O)CC2CC2)C[C@H]1O
InChIInChI=1S/C11H18N2O3/c1-7(14)12-9-5-13(6-10(9)15)11(16)4-8-2-3-8/h8-10,15H,2-6H2,1H3,(H,12,14)/t9-,10-/m1/s1
InChIKeyXTXNVMGVGXHYCI-NXEZZACHSA-N
XLogP-0.51
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylpentan-1-one
CID 10845727
2-Amino-1-(3-hydroxy-pyrrolidin-1-yl)-3-methyl-pentan-1-one
CID 44364210
(2S,3R)-1-((1S,5R)-2-aza-bicyclo[3.1.0]hexan-2-yl)-2-amino-3-hydroxybutan-1-one
CID 44433944
N-[1-(3-ethyl-4-hydroxypyrrolidin-1-yl)-1-oxopropan-2-yl]acetamide
CID 136518328
2,2,2-trifluoro-N-[(2S)-1-(3-hydroxy-4-methylpyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]acetamide
CID 59898859
1-fluoro-N-[(2S)-1-[(2R,4R)-4-hydroxy-2-methylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]cyclopropane-1-carboxamide
CID 174285688
(2R,4S)-1-(2-amino-3-methylbutanoyl)-3-fluoro-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 177975856
(2S,4R)-1-(2-amino-3,3-dimethylbutanoyl)-N-[(2-amino-2-fluorocyclopropyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 177976024
(2R,3R,4S)-1-(2-amino-3-methylbutanoyl)-3-fluoro-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 177976442
N-(1-cyclopropylethyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 54870173
2-fluoro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,2-dimethylpropanamide
CID 130562024
(2R,4S)-1-acetyl-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-hydroxypyrrolidine-2-carboxamide
CID 132361353

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-1-(2-cyclopropylacetyl)-4-hydroxypyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3R,4R)-1-(2-cyclopropylacetyl)-4-hydroxypyrrolidin-3-yl]acetamide (CID 110132987) is N-[(3R,4R)-1-(2-cyclopropylacetyl)-4-hydroxypyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R,4R)-1-(2-cyclopropylacetyl)-4-hydroxypyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3R,4R)-1-(2-cyclopropylacetyl)-4-hydroxypyrrolidin-3-yl]acetamide is CC(=O)N[C@@H]1CN(C(=O)CC2CC2)C[C@H]1O.
What is the InChIKey of N-[(3R,4R)-1-(2-cyclopropylacetyl)-4-hydroxypyrrolidin-3-yl]acetamide?
The InChIKey is XTXNVMGVGXHYCI-NXEZZACHSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-7(14)12-9-5-13(6-10(9)15)11(16)4-8-2-3-8/h8-10,15H,2-6H2,1H3,(H,12,14)/t9-,10-/m1/s1.
What are the key properties of N-[(3R,4R)-1-(2-cyclopropylacetyl)-4-hydroxypyrrolidin-3-yl]acetamide?
N-[(3R,4R)-1-(2-cyclopropylacetyl)-4-hydroxypyrrolidin-3-yl]acetamide has a molecular weight of 226.28 g/mol, XLogP of -0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-1-(2-cyclopropylacetyl)-4-hydroxypyrrolidin-3-yl]acetamide is sourced from PubChem (CID 110132987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).