ethyl 2-acetamido-2-[(1R,2R)-2-amino-4-hydroxycyclopentyl]acetate

C11H20N2O4 — CID 57042758

IUPACethyl 2-acetamido-2-[(1R,2R)-2-amino-4-hydroxycyclopentyl]acetate
SMILESCCOC(=O)C(NC(C)=O)[C@@H]1CC(O)C[C@H]1N
InChIInChI=1S/C11H20N2O4/c1-3-17-11(16)10(13-6(2)14)8-4-7(15)5-9(8)12/h7-10,15H,3-5,12H2,1-2H3,(H,13,14)/t7?,8-,9-,10?/m1/s1
InChIKeyGGZSIONQIQVZQS-DSAQSWLYSA-N
MW244.29 g/mol
LogP-0.85
Rot. Bonds4

About ethyl 2-acetamido-2-[(1R,2R)-2-amino-4-hydroxycyclopentyl]acetate

ethyl 2-acetamido-2-[(1R,2R)-2-amino-4-hydroxycyclopentyl]acetate (PubChem CID 57042758) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is ethyl 2-acetamido-2-[(1R,2R)-2-amino-4-hydroxycyclopentyl]acetate.

Molecular Properties

Compound Nameethyl 2-acetamido-2-[(1R,2R)-2-amino-4-hydroxycyclopentyl]acetate
PubChem CID57042758
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Nameethyl 2-acetamido-2-[(1R,2R)-2-amino-4-hydroxycyclopentyl]acetate
SMILESCCOC(=O)C(NC(C)=O)[C@@H]1CC(O)C[C@H]1N
InChIInChI=1S/C11H20N2O4/c1-3-17-11(16)10(13-6(2)14)8-4-7(15)5-9(8)12/h7-10,15H,3-5,12H2,1-2H3,(H,13,14)/t7?,8-,9-,10?/m1/s1
InChIKeyGGZSIONQIQVZQS-DSAQSWLYSA-N
XLogP-0.85
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-acetamido-2-[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxocyclopentyl]acetate
CID 56981149
ethyl (2S)-2-acetamidopropanoate
CID 11805045
trans-ethyl (1R,2R)-2-[(2S)-2-acetamido-3-ethoxy-3-oxopropyl]cyclopropane-1-carboxylate
CID 57187213
3-(1-acetamido-2-ethylbutyl)-4-aminocyclopentane-1-carboxylic acid;hydrochloride
CID 70030931
ethyl 2-acetamido-2-chloroacetate
CID 44557246
ethyl (1S,2S,3R,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-amino-2-hydroxycyclopentane-1-carboxylate
CID 20586261
ethyl 2-acetamido-2-(methylamino)acetate
CID 14860687
ethyl 2-acetamido-3-hydroxypropanoate
CID 14420231
ethyl 2-acetamido-4-bromo-3-oxobutanoate
CID 15137540
2-O-ethyl 1-O,1-O-dimethyl 2-acetamidoethane-1,1,2-tricarboxylate
CID 134999943
ethyl (2R)-2-acetamido-2-(dimethylamino)acetate
CID 92980719
ethyl (2R)-2-acetamido-4-methylsulfonylbutanoate
CID 124671880

Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetamido-2-[(1R,2R)-2-amino-4-hydroxycyclopentyl]acetate?
The IUPAC name of ethyl 2-acetamido-2-[(1R,2R)-2-amino-4-hydroxycyclopentyl]acetate (CID 57042758) is ethyl 2-acetamido-2-[(1R,2R)-2-amino-4-hydroxycyclopentyl]acetate.
What is the SMILES notation for ethyl 2-acetamido-2-[(1R,2R)-2-amino-4-hydroxycyclopentyl]acetate?
The canonical SMILES for ethyl 2-acetamido-2-[(1R,2R)-2-amino-4-hydroxycyclopentyl]acetate is CCOC(=O)C(NC(C)=O)[C@@H]1CC(O)C[C@H]1N.
What is the InChIKey of ethyl 2-acetamido-2-[(1R,2R)-2-amino-4-hydroxycyclopentyl]acetate?
The InChIKey is GGZSIONQIQVZQS-DSAQSWLYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-3-17-11(16)10(13-6(2)14)8-4-7(15)5-9(8)12/h7-10,15H,3-5,12H2,1-2H3,(H,13,14)/t7?,8-,9-,10?/m1/s1.
What are the key properties of ethyl 2-acetamido-2-[(1R,2R)-2-amino-4-hydroxycyclopentyl]acetate?
ethyl 2-acetamido-2-[(1R,2R)-2-amino-4-hydroxycyclopentyl]acetate has a molecular weight of 244.29 g/mol, XLogP of -0.85, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetamido-2-[(1R,2R)-2-amino-4-hydroxycyclopentyl]acetate is sourced from PubChem (CID 57042758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).