(3S)-3-amino-4,4-dimethyloxolan-2-one;iminoazanium

C6H14N3O2+ — CID 159062338

IUPAC(3S)-3-amino-4,4-dimethyloxolan-2-one;iminoazanium
SMILESCC1(C)COC(=O)[C@H]1N.[H]N=[NH2+]
InChIInChI=1S/C6H11NO2.H2N2/c1-6(2)3-9-5(8)4(6)7;1-2/h4H,3,7H2,1-2H3;1-2H/p+1/t4-;/m1./s1
InChIKeyJYPXUGRNFNQZKA-PGMHMLKASA-O
MW160.20 g/mol
LogP-1.33
Rot. Bonds

About (3S)-3-amino-4,4-dimethyloxolan-2-one;iminoazanium

(3S)-3-amino-4,4-dimethyloxolan-2-one;iminoazanium (PubChem CID 159062338) has the molecular formula C6H14N3O2+ and a molecular weight of 160.20 g/mol. Its IUPAC name is (3S)-3-amino-4,4-dimethyloxolan-2-one;iminoazanium.

Molecular Properties

Compound Name(3S)-3-amino-4,4-dimethyloxolan-2-one;iminoazanium
PubChem CID159062338
Molecular FormulaC6H14N3O2+
Molecular Weight160.20 g/mol
Exact Mass160.11
IUPAC Name(3S)-3-amino-4,4-dimethyloxolan-2-one;iminoazanium
SMILESCC1(C)COC(=O)[C@H]1N.[H]N=[NH2+]
InChIInChI=1S/C6H11NO2.H2N2/c1-6(2)3-9-5(8)4(6)7;1-2/h4H,3,7H2,1-2H3;1-2H/p+1/t4-;/m1./s1
InChIKeyJYPXUGRNFNQZKA-PGMHMLKASA-O
XLogP-1.33
TPSA101.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.20
LogP ≤ 5-1.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

3-amino-4,4-dimethyloxolan-2-one
CID 13247950
3-fluoro-4,4-dimethyloxolan-2-one
CID 102597202
4-amino-3,3,5,5-tetramethyloxan-2-one
CID 14723652
3-O-[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 1-O-(4,4-dimethyl-2-oxooxolan-3-yl) propane-1,3-disulfonate
CID 118391032
(3R)-3-azido-4,4-dimethyloxolan-2-one
CID 46737241
4,4-dimethyl-3-(trimethoxymethyl)oxolan-2-one
CID 12678995
4-amino-3,3-dimethyl-2,4-dihydrochromen-5-ol
CID 163222163
4-ethyl-3,5-dimethyl-5-[(E)-prop-1-enyl]oxan-2-one
CID 10035584
(3R)-3-hydroxy-4,4-bis(trideuteriomethyl)oxolan-2-one
CID 71751460
3-(4,4-dimethyl-2-oxooxolan-3-yl)oxysulfonylpropane-1-sulfonic acid
CID 75586194
3-(2-hydroxybenzoyl)-4,4-dimethyloxolan-2-one
CID 13244745
methyl N-[(3R)-4,4-dimethyl-2-oxooxolan-3-yl]carbamate
CID 101432003

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-4,4-dimethyloxolan-2-one;iminoazanium?
The IUPAC name of (3S)-3-amino-4,4-dimethyloxolan-2-one;iminoazanium (CID 159062338) is (3S)-3-amino-4,4-dimethyloxolan-2-one;iminoazanium.
What is the SMILES notation for (3S)-3-amino-4,4-dimethyloxolan-2-one;iminoazanium?
The canonical SMILES for (3S)-3-amino-4,4-dimethyloxolan-2-one;iminoazanium is CC1(C)COC(=O)[C@H]1N.[H]N=[NH2+].
What is the InChIKey of (3S)-3-amino-4,4-dimethyloxolan-2-one;iminoazanium?
The InChIKey is JYPXUGRNFNQZKA-PGMHMLKASA-O. The full InChI is InChI=1S/C6H11NO2.H2N2/c1-6(2)3-9-5(8)4(6)7;1-2/h4H,3,7H2,1-2H3;1-2H/p+1/t4-;/m1./s1.
What are the key properties of (3S)-3-amino-4,4-dimethyloxolan-2-one;iminoazanium?
(3S)-3-amino-4,4-dimethyloxolan-2-one;iminoazanium has a molecular weight of 160.20 g/mol, XLogP of -1.33, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-4,4-dimethyloxolan-2-one;iminoazanium is sourced from PubChem (CID 159062338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).