2-[(3R,5S)-4-acetamido-3,5-dihydroxypiperidin-1-yl]acetic acid

C9H16N2O5 — CID 10421439

IUPAC2-[(3R,5S)-4-acetamido-3,5-dihydroxypiperidin-1-yl]acetic acid
SMILESCC(=O)NC1[C@H](O)CN(CC(=O)O)C[C@@H]1O
InChIInChI=1S/C9H16N2O5/c1-5(12)10-9-6(13)2-11(3-7(9)14)4-8(15)16/h6-7,9,13-14H,2-4H2,1H3,(H,10,12)(H,15,16)/t6-,7+,9?
InChIKeyIEMFSHRFQKOVAR-AVSFMBPQSA-N
MW232.24 g/mol
LogP-2.39
Rot. Bonds3

About 2-[(3R,5S)-4-acetamido-3,5-dihydroxypiperidin-1-yl]acetic acid

2-[(3R,5S)-4-acetamido-3,5-dihydroxypiperidin-1-yl]acetic acid (PubChem CID 10421439) has the molecular formula C9H16N2O5 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-[(3R,5S)-4-acetamido-3,5-dihydroxypiperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R,5S)-4-acetamido-3,5-dihydroxypiperidin-1-yl]acetic acid
PubChem CID10421439
Molecular FormulaC9H16N2O5
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC Name2-[(3R,5S)-4-acetamido-3,5-dihydroxypiperidin-1-yl]acetic acid
SMILESCC(=O)NC1[C@H](O)CN(CC(=O)O)C[C@@H]1O
InChIInChI=1S/C9H16N2O5/c1-5(12)10-9-6(13)2-11(3-7(9)14)4-8(15)16/h6-7,9,13-14H,2-4H2,1H3,(H,10,12)(H,15,16)/t6-,7+,9?
InChIKeyIEMFSHRFQKOVAR-AVSFMBPQSA-N
XLogP-2.39
TPSA110.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-2.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3S,4S)-3-acetamido-4-hydroxypyrrolidin-1-yl]acetic acid
CID 59039273
methyl 2-[(3S,5R)-4-acetamido-3,5-dihydroxypiperidin-1-yl]acetate
CID 10658068
N-[(3S,5R)-3,5-dihydroxy-1-methylpiperidin-4-yl]acetamide
CID 68571558
2-(3-hydroxyazetidin-1-yl)acetic acid
CID 63282398
2-(3-acetamidopyrrolidin-1-yl)acetic acid
CID 66567726
2-[(3S,4S)-3-hydroxy-4-methoxypyrrolidin-1-yl]acetic acid
CID 129499607
2-[3-(carboxymethyl)-5-hydroxy-1,3-diazinan-1-yl]acetic acid
CID 20533582
2-[(3S,4R)-3-acetamido-4-(4-methoxyphenyl)pyrrolidin-1-yl]acetic acid
CID 70747208
2-(4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)acetic acid
CID 66486578
N-[(3R,4R)-4-hydroxy-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidin-3-yl]acetamide
CID 155900023
2-(3-tert-butylazetidin-1-yl)acetic acid
CID 79687035
4-(3,4-dihydroxypyrrolidin-1-yl)-3-methylbut-2-enoic acid
CID 106670177

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,5S)-4-acetamido-3,5-dihydroxypiperidin-1-yl]acetic acid?
The IUPAC name of 2-[(3R,5S)-4-acetamido-3,5-dihydroxypiperidin-1-yl]acetic acid (CID 10421439) is 2-[(3R,5S)-4-acetamido-3,5-dihydroxypiperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[(3R,5S)-4-acetamido-3,5-dihydroxypiperidin-1-yl]acetic acid?
The canonical SMILES for 2-[(3R,5S)-4-acetamido-3,5-dihydroxypiperidin-1-yl]acetic acid is CC(=O)NC1[C@H](O)CN(CC(=O)O)C[C@@H]1O.
What is the InChIKey of 2-[(3R,5S)-4-acetamido-3,5-dihydroxypiperidin-1-yl]acetic acid?
The InChIKey is IEMFSHRFQKOVAR-AVSFMBPQSA-N. The full InChI is InChI=1S/C9H16N2O5/c1-5(12)10-9-6(13)2-11(3-7(9)14)4-8(15)16/h6-7,9,13-14H,2-4H2,1H3,(H,10,12)(H,15,16)/t6-,7+,9?.
What are the key properties of 2-[(3R,5S)-4-acetamido-3,5-dihydroxypiperidin-1-yl]acetic acid?
2-[(3R,5S)-4-acetamido-3,5-dihydroxypiperidin-1-yl]acetic acid has a molecular weight of 232.24 g/mol, XLogP of -2.39, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,5S)-4-acetamido-3,5-dihydroxypiperidin-1-yl]acetic acid is sourced from PubChem (CID 10421439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).