ethyl 2-[(3S,4R)-3-acetamido-4-hydroxypyrrolidin-1-yl]acetate

C10H18N2O4 — CID 59039267

IUPACethyl 2-[(3S,4R)-3-acetamido-4-hydroxypyrrolidin-1-yl]acetate
SMILESCCOC(=O)CN1C[C@@H](O)[C@@H](NC(C)=O)C1
InChIInChI=1S/C10H18N2O4/c1-3-16-10(15)6-12-4-8(9(14)5-12)11-7(2)13/h8-9,14H,3-6H2,1-2H3,(H,11,13)/t8-,9+/m0/s1
InChIKeyGBSUENRSTLFOBX-DTWKUNHWSA-N
MW230.26 g/mol
LogP-1.27
Rot. Bonds4

About ethyl 2-[(3S,4R)-3-acetamido-4-hydroxypyrrolidin-1-yl]acetate

ethyl 2-[(3S,4R)-3-acetamido-4-hydroxypyrrolidin-1-yl]acetate (PubChem CID 59039267) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is ethyl 2-[(3S,4R)-3-acetamido-4-hydroxypyrrolidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(3S,4R)-3-acetamido-4-hydroxypyrrolidin-1-yl]acetate
PubChem CID59039267
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Nameethyl 2-[(3S,4R)-3-acetamido-4-hydroxypyrrolidin-1-yl]acetate
SMILESCCOC(=O)CN1C[C@@H](O)[C@@H](NC(C)=O)C1
InChIInChI=1S/C10H18N2O4/c1-3-16-10(15)6-12-4-8(9(14)5-12)11-7(2)13/h8-9,14H,3-6H2,1-2H3,(H,11,13)/t8-,9+/m0/s1
InChIKeyGBSUENRSTLFOBX-DTWKUNHWSA-N
XLogP-1.27
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
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 ≤ 105

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Related Compounds

N-[(3R,4R)-1-(2-ethoxyacetyl)-4-hydroxypyrrolidin-3-yl]acetamide
CID 110132984
Tert-butyl 4-[(3-hydroxy-1-methoxy-1-oxopropan-2-yl)carbamoyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10860915
2-[[(4S,5R)-3-(2-aminoacetyl)-2-(hydroxymethyl)-5-methyl-1,3-oxazolidine-4-carbonyl]amino]acetic acid
CID 162408652
l-Hydroxyprolylglycine, N-ethoxycarbonyl-, ethyl ester
CID 91722899
L-Hydroxyprolylglycine, N-butoxycarbonyl-, n-propyl ester
CID 91729838
2-(3-Acetamido-4-hydroxypyrrolidin-1-yl)acetic acid
CID 18669488
Ethyl 2-(3-acetamido-4-hydroxypyrrolidin-1-yl)acetate
CID 18669493
tert-butyl (3R)-3-[(2-ethoxy-2-oxoethyl)amino]pyrrolidine-1-carboxylate
CID 44192742
methyl (2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]propanoate
CID 57097611
Tert-butyl 3-hydroxy-4-[(2-methoxy-2-oxoethyl)amino]pyrrolidine-1-carboxylate
CID 57108270
methyl 2-[[(2S,3R)-3-hydroxy-2-(methylamino)butanoyl]-methylamino]acetate
CID 57765117
2-ethoxy-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide
CID 58395758

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3S,4R)-3-acetamido-4-hydroxypyrrolidin-1-yl]acetate?
The IUPAC name of ethyl 2-[(3S,4R)-3-acetamido-4-hydroxypyrrolidin-1-yl]acetate (CID 59039267) is ethyl 2-[(3S,4R)-3-acetamido-4-hydroxypyrrolidin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[(3S,4R)-3-acetamido-4-hydroxypyrrolidin-1-yl]acetate?
The canonical SMILES for ethyl 2-[(3S,4R)-3-acetamido-4-hydroxypyrrolidin-1-yl]acetate is CCOC(=O)CN1C[C@@H](O)[C@@H](NC(C)=O)C1.
What is the InChIKey of ethyl 2-[(3S,4R)-3-acetamido-4-hydroxypyrrolidin-1-yl]acetate?
The InChIKey is GBSUENRSTLFOBX-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-3-16-10(15)6-12-4-8(9(14)5-12)11-7(2)13/h8-9,14H,3-6H2,1-2H3,(H,11,13)/t8-,9+/m0/s1.
What are the key properties of ethyl 2-[(3S,4R)-3-acetamido-4-hydroxypyrrolidin-1-yl]acetate?
ethyl 2-[(3S,4R)-3-acetamido-4-hydroxypyrrolidin-1-yl]acetate has a molecular weight of 230.26 g/mol, XLogP of -1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3S,4R)-3-acetamido-4-hydroxypyrrolidin-1-yl]acetate is sourced from PubChem (CID 59039267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).