(4S)-4-[3-[hydroxy(methyl)amino]propoxymethyl]-1,3-dioxolan-2-one

C8H15NO5 — CID 163561102

IUPAC(4S)-4-[3-[hydroxy(methyl)amino]propoxymethyl]-1,3-dioxolan-2-one
SMILESCN(O)CCCOC[C@H]1COC(=O)O1
InChIInChI=1S/C8H15NO5/c1-9(11)3-2-4-12-5-7-6-13-8(10)14-7/h7,11H,2-6H2,1H3/t7-/m0/s1
InChIKeyFRGZFJJUYBCANG-ZETCQYMHSA-N
MW205.21 g/mol
LogP0.25
Rot. Bonds6

About (4S)-4-[3-[hydroxy(methyl)amino]propoxymethyl]-1,3-dioxolan-2-one

(4S)-4-[3-[hydroxy(methyl)amino]propoxymethyl]-1,3-dioxolan-2-one (PubChem CID 163561102) has the molecular formula C8H15NO5 and a molecular weight of 205.21 g/mol. Its IUPAC name is (4S)-4-[3-[hydroxy(methyl)amino]propoxymethyl]-1,3-dioxolan-2-one.

Molecular Properties

Compound Name(4S)-4-[3-[hydroxy(methyl)amino]propoxymethyl]-1,3-dioxolan-2-one
PubChem CID163561102
Molecular FormulaC8H15NO5
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Name(4S)-4-[3-[hydroxy(methyl)amino]propoxymethyl]-1,3-dioxolan-2-one
SMILESCN(O)CCCOC[C@H]1COC(=O)O1
InChIInChI=1S/C8H15NO5/c1-9(11)3-2-4-12-5-7-6-13-8(10)14-7/h7,11H,2-6H2,1H3/t7-/m0/s1
InChIKeyFRGZFJJUYBCANG-ZETCQYMHSA-N
XLogP0.25
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[3-[dichloro(methyl)silyl]propoxymethyl]-1,3-dioxolan-2-one
CID 102323538
CID 58831271
CID 58831271
4-[3-[hydroxymethoxy-(hydroxymethyl)-methylsilyl]propoxymethyl]-1,3-dioxolan-2-one
CID 155795839
4-(oxiran-2-ylmethoxymethyl)-1,3-dioxolan-2-one
CID 13170397
4-[[4-[(2-oxo-1,3-dioxolan-4-yl)methoxy]-3,3-bis[(2-oxo-1,3-dioxolan-4-yl)methoxymethyl]butoxy]methyl]-1,3-dioxolan-2-one
CID 154528659
[2-methoxy-3-[4-[(2-oxo-1,3-dioxolan-4-yl)methoxy]butoxy]propyl] formate
CID 163276160
bis[(2-oxo-1,3-dioxolan-4-yl)methyl] pentanedioate
CID 59449201
(4R)-4-(prop-2-ynoxymethyl)-1,3-dioxolan-2-one
CID 124674242
2-ethoxyethyl 2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]acetate
CID 59844671
4-[(5-oxooxolan-2-yl)methoxymethoxymethyl]-1,3-dioxolan-2-one
CID 130415422
4-(3,3,4,4,5,5,5-heptafluoropentoxymethyl)-1,3-dioxolan-2-one
CID 138625430
(2-oxo-1,3-dioxolan-4-yl)methyl N,N-dioctylcarbamate
CID 66882543

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[3-[hydroxy(methyl)amino]propoxymethyl]-1,3-dioxolan-2-one?
The IUPAC name of (4S)-4-[3-[hydroxy(methyl)amino]propoxymethyl]-1,3-dioxolan-2-one (CID 163561102) is (4S)-4-[3-[hydroxy(methyl)amino]propoxymethyl]-1,3-dioxolan-2-one.
What is the SMILES notation for (4S)-4-[3-[hydroxy(methyl)amino]propoxymethyl]-1,3-dioxolan-2-one?
The canonical SMILES for (4S)-4-[3-[hydroxy(methyl)amino]propoxymethyl]-1,3-dioxolan-2-one is CN(O)CCCOC[C@H]1COC(=O)O1.
What is the InChIKey of (4S)-4-[3-[hydroxy(methyl)amino]propoxymethyl]-1,3-dioxolan-2-one?
The InChIKey is FRGZFJJUYBCANG-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15NO5/c1-9(11)3-2-4-12-5-7-6-13-8(10)14-7/h7,11H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of (4S)-4-[3-[hydroxy(methyl)amino]propoxymethyl]-1,3-dioxolan-2-one?
(4S)-4-[3-[hydroxy(methyl)amino]propoxymethyl]-1,3-dioxolan-2-one has a molecular weight of 205.21 g/mol, XLogP of 0.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[3-[hydroxy(methyl)amino]propoxymethyl]-1,3-dioxolan-2-one is sourced from PubChem (CID 163561102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).