N-[[(2R,3R,4S)-4-amino-3-hydroxyoxolan-2-yl]methyl]acetamide

C7H14N2O3 — CID 131632145

IUPACN-[[(2R,3R,4S)-4-amino-3-hydroxyoxolan-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1OC[C@H](N)[C@H]1O
InChIInChI=1S/C7H14N2O3/c1-4(10)9-2-6-7(11)5(8)3-12-6/h5-7,11H,2-3,8H2,1H3,(H,9,10)/t5-,6+,7+/m0/s1
InChIKeyVBXVTHZKPBZQDB-RRKCRQDMSA-N
MW174.20 g/mol
LogP-1.79
Rot. Bonds2

About N-[[(2R,3R,4S)-4-amino-3-hydroxyoxolan-2-yl]methyl]acetamide

N-[[(2R,3R,4S)-4-amino-3-hydroxyoxolan-2-yl]methyl]acetamide (PubChem CID 131632145) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is N-[[(2R,3R,4S)-4-amino-3-hydroxyoxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(2R,3R,4S)-4-amino-3-hydroxyoxolan-2-yl]methyl]acetamide
PubChem CID131632145
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC NameN-[[(2R,3R,4S)-4-amino-3-hydroxyoxolan-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1OC[C@H](N)[C@H]1O
InChIInChI=1S/C7H14N2O3/c1-4(10)9-2-6-7(11)5(8)3-12-6/h5-7,11H,2-3,8H2,1H3,(H,9,10)/t5-,6+,7+/m0/s1
InChIKeyVBXVTHZKPBZQDB-RRKCRQDMSA-N
XLogP-1.79
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-1.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3R,4S)-4-amino-3-hydroxyoxolan-2-yl]methyl]acetamide?
The IUPAC name of N-[[(2R,3R,4S)-4-amino-3-hydroxyoxolan-2-yl]methyl]acetamide (CID 131632145) is N-[[(2R,3R,4S)-4-amino-3-hydroxyoxolan-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[(2R,3R,4S)-4-amino-3-hydroxyoxolan-2-yl]methyl]acetamide?
The canonical SMILES for N-[[(2R,3R,4S)-4-amino-3-hydroxyoxolan-2-yl]methyl]acetamide is CC(=O)NC[C@H]1OC[C@H](N)[C@H]1O.
What is the InChIKey of N-[[(2R,3R,4S)-4-amino-3-hydroxyoxolan-2-yl]methyl]acetamide?
The InChIKey is VBXVTHZKPBZQDB-RRKCRQDMSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-4(10)9-2-6-7(11)5(8)3-12-6/h5-7,11H,2-3,8H2,1H3,(H,9,10)/t5-,6+,7+/m0/s1.
What are the key properties of N-[[(2R,3R,4S)-4-amino-3-hydroxyoxolan-2-yl]methyl]acetamide?
N-[[(2R,3R,4S)-4-amino-3-hydroxyoxolan-2-yl]methyl]acetamide has a molecular weight of 174.20 g/mol, XLogP of -1.79, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3R,4S)-4-amino-3-hydroxyoxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 131632145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).