2-amino-N-[2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-oxoethyl]acetamide

C8H15N3O4 — CID 107220699

IUPAC2-amino-N-[2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-oxoethyl]acetamide
SMILESNCC(=O)NCC(=O)N1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C8H15N3O4/c9-1-7(14)10-2-8(15)11-3-5(12)6(13)4-11/h5-6,12-13H,1-4,9H2,(H,10,14)/t5-,6+
InChIKeyBETDFWYMMCTICU-OLQVQODUSA-N
MW217.22 g/mol
LogP-3.37
Rot. Bonds3

About 2-amino-N-[2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-oxoethyl]acetamide

2-amino-N-[2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-oxoethyl]acetamide (PubChem CID 107220699) has the molecular formula C8H15N3O4 and a molecular weight of 217.22 g/mol. Its IUPAC name is 2-amino-N-[2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-oxoethyl]acetamide
PubChem CID107220699
Molecular FormulaC8H15N3O4
Molecular Weight217.22 g/mol
Exact Mass217.11
IUPAC Name2-amino-N-[2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-oxoethyl]acetamide
SMILESNCC(=O)NCC(=O)N1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C8H15N3O4/c9-1-7(14)10-2-8(15)11-3-5(12)6(13)4-11/h5-6,12-13H,1-4,9H2,(H,10,14)/t5-,6+
InChIKeyBETDFWYMMCTICU-OLQVQODUSA-N
XLogP-3.37
TPSA115.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-3.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(S)-2-(3-Hydroxypyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 56687405
2-(3-hydroxypyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 62916630
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 63365256
1-(3-Hydroxypyrrolidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 79261788
2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 79419412
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
CID 103719221
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
CID 103745543
1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
CID 103915759
1-Pyrrolidin-1-yl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethanone
CID 104384065
1-(3,4-Dihydroxypyrrolidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 106669187
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 106672119
N-(2-Amino-2-oxoethyl)-2-(4-hydroxy-2-oxopyrrolidin-1-yl)acetamide
CID 11701304

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of 2-amino-N-[2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-oxoethyl]acetamide (CID 107220699) is 2-amino-N-[2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-oxoethyl]acetamide is NCC(=O)NCC(=O)N1C[C@@H](O)[C@@H](O)C1.
What is the InChIKey of 2-amino-N-[2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is BETDFWYMMCTICU-OLQVQODUSA-N. The full InChI is InChI=1S/C8H15N3O4/c9-1-7(14)10-2-8(15)11-3-5(12)6(13)4-11/h5-6,12-13H,1-4,9H2,(H,10,14)/t5-,6+.
What are the key properties of 2-amino-N-[2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-oxoethyl]acetamide?
2-amino-N-[2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 217.22 g/mol, XLogP of -3.37, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 107220699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).