(4R,6S)-6-(aminomethyl)-4-nitrosooxan-2-one

C6H10N2O3 — CID 89255010

IUPAC(4R,6S)-6-(aminomethyl)-4-nitrosooxan-2-one
SMILESNC[C@@H]1C[C@@H](N=O)CC(=O)O1
InChIInChI=1S/C6H10N2O3/c7-3-5-1-4(8-10)2-6(9)11-5/h4-5H,1-3,7H2/t4-,5+/m1/s1
InChIKeyVJCMXNFWCHRAAH-UHNVWZDZSA-N
MW158.16 g/mol
LogP-0.21
Rot. Bonds2

About (4R,6S)-6-(aminomethyl)-4-nitrosooxan-2-one

(4R,6S)-6-(aminomethyl)-4-nitrosooxan-2-one (PubChem CID 89255010) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is (4R,6S)-6-(aminomethyl)-4-nitrosooxan-2-one.

Molecular Properties

Compound Name(4R,6S)-6-(aminomethyl)-4-nitrosooxan-2-one
PubChem CID89255010
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Name(4R,6S)-6-(aminomethyl)-4-nitrosooxan-2-one
SMILESNC[C@@H]1C[C@@H](N=O)CC(=O)O1
InChIInChI=1S/C6H10N2O3/c7-3-5-1-4(8-10)2-6(9)11-5/h4-5H,1-3,7H2/t4-,5+/m1/s1
InChIKeyVJCMXNFWCHRAAH-UHNVWZDZSA-N
XLogP-0.21
TPSA81.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4R,6S)-6-(aminomethyl)-4-nitrosooxan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R,6S)-6-(aminomethyl)-4-hydroxyoxan-2-one
CID 89253669
(4R)-4-(aminomethyl)oxetan-2-one
CID 20656326
4,8-diethyl-1,5-dioxocane-2,6-dione
CID 171057524
6-(bromomethyl)-4-methyloxan-2-one
CID 154701914
[(1S,3R,7S,8S,8aR)-3,7-dimethyl-8-[2-[(4R)-4-nitroso-6-oxooxan-2-yl]ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate
CID 142198490
(4R)-4-ethyloxetan-2-one
CID 14325240
6-ethyl-4-hydroxyoxan-2-one
CID 20679563
(4S,6R)-6-ethyl-4-methyloxan-2-one
CID 90453462
4-(aminomethyl)-1,3-dioxolan-2-one
CID 22011126
(4S)-4-(chloromethyl)oxetan-2-one
CID 58067872
(4R)-6-(hydroxymethyl)-4-methyloxan-2-one
CID 58858610
6-(hydroxymethyl)-4-methyloxan-2-one
CID 14520546

Frequently Asked Questions

What is the IUPAC name of (4R,6S)-6-(aminomethyl)-4-nitrosooxan-2-one?
The IUPAC name of (4R,6S)-6-(aminomethyl)-4-nitrosooxan-2-one (CID 89255010) is (4R,6S)-6-(aminomethyl)-4-nitrosooxan-2-one.
What is the SMILES notation for (4R,6S)-6-(aminomethyl)-4-nitrosooxan-2-one?
The canonical SMILES for (4R,6S)-6-(aminomethyl)-4-nitrosooxan-2-one is NC[C@@H]1C[C@@H](N=O)CC(=O)O1.
What is the InChIKey of (4R,6S)-6-(aminomethyl)-4-nitrosooxan-2-one?
The InChIKey is VJCMXNFWCHRAAH-UHNVWZDZSA-N. The full InChI is InChI=1S/C6H10N2O3/c7-3-5-1-4(8-10)2-6(9)11-5/h4-5H,1-3,7H2/t4-,5+/m1/s1.
What are the key properties of (4R,6S)-6-(aminomethyl)-4-nitrosooxan-2-one?
(4R,6S)-6-(aminomethyl)-4-nitrosooxan-2-one has a molecular weight of 158.16 g/mol, XLogP of -0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-6-(aminomethyl)-4-nitrosooxan-2-one is sourced from PubChem (CID 89255010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).