3-amino-3-ethoxy-2-methylbutan-2-ol;phosphoric acid

C7H20NO6P — CID 87344448

IUPAC3-amino-3-ethoxy-2-methylbutan-2-ol;phosphoric acid
SMILESCCOC(C)(N)C(C)(C)O.O=P(O)(O)O
InChIInChI=1S/C7H17NO2.H3O4P/c1-5-10-7(4,8)6(2,3)9;1-5(2,3)4/h9H,5,8H2,1-4H3;(H3,1,2,3,4)
InChIKeyVRQOIBHMADFSHQ-UHFFFAOYSA-N
MW245.21 g/mol
LogP-0.46
Rot. Bonds3

About 3-amino-3-ethoxy-2-methylbutan-2-ol;phosphoric acid

3-amino-3-ethoxy-2-methylbutan-2-ol;phosphoric acid (PubChem CID 87344448) has the molecular formula C7H20NO6P and a molecular weight of 245.21 g/mol. Its IUPAC name is 3-amino-3-ethoxy-2-methylbutan-2-ol;phosphoric acid.

Molecular Properties

Compound Name3-amino-3-ethoxy-2-methylbutan-2-ol;phosphoric acid
PubChem CID87344448
Molecular FormulaC7H20NO6P
Molecular Weight245.21 g/mol
Exact Mass245.10
IUPAC Name3-amino-3-ethoxy-2-methylbutan-2-ol;phosphoric acid
SMILESCCOC(C)(N)C(C)(C)O.O=P(O)(O)O
InChIInChI=1S/C7H17NO2.H3O4P/c1-5-10-7(4,8)6(2,3)9;1-5(2,3)4/h9H,5,8H2,1-4H3;(H3,1,2,3,4)
InChIKeyVRQOIBHMADFSHQ-UHFFFAOYSA-N
XLogP-0.46
TPSA133.24 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.21
LogP ≤ 5-0.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 3-amino-3-ethoxy-2-methylbutan-2-ol;phosphoric acid 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

1-amino-1-ethoxyethanol;N,N-dimethylmethanamine;phosphoric acid
CID 174561283
1,1-diethoxyethyl(ethoxy)phosphinic acid
CID 150387387
sodium;1,1-diethoxyethyl dihydrogen phosphate;hydride
CID 175400534
butane-2,2,3,3-tetrol;phosphoric acid
CID 172831212
1,1-diethoxyethyl methyl hydrogen phosphate
CID 175400532
1,1-diethoxyethyl(difluoromethyl)phosphinic acid
CID 19988595
arsane;phosphane;phosphoric acid
CID 175145230
1-amino-2-ethoxypropan-2-ol
CID 174792064
2-ethoxy-2-hydroxypropanediamide
CID 45122517
acetic acid;triethoxymethanamine
CID 175078602
2-ethoxyprop-1-ene;phosphoric acid
CID 175275103
2-ethoxy-3,3-dimethylbutan-2-ol
CID 141378500

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-ethoxy-2-methylbutan-2-ol;phosphoric acid?
The IUPAC name of 3-amino-3-ethoxy-2-methylbutan-2-ol;phosphoric acid (CID 87344448) is 3-amino-3-ethoxy-2-methylbutan-2-ol;phosphoric acid.
What is the SMILES notation for 3-amino-3-ethoxy-2-methylbutan-2-ol;phosphoric acid?
The canonical SMILES for 3-amino-3-ethoxy-2-methylbutan-2-ol;phosphoric acid is CCOC(C)(N)C(C)(C)O.O=P(O)(O)O.
What is the InChIKey of 3-amino-3-ethoxy-2-methylbutan-2-ol;phosphoric acid?
The InChIKey is VRQOIBHMADFSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2.H3O4P/c1-5-10-7(4,8)6(2,3)9;1-5(2,3)4/h9H,5,8H2,1-4H3;(H3,1,2,3,4).
What are the key properties of 3-amino-3-ethoxy-2-methylbutan-2-ol;phosphoric acid?
3-amino-3-ethoxy-2-methylbutan-2-ol;phosphoric acid has a molecular weight of 245.21 g/mol, XLogP of -0.46, 3 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-ethoxy-2-methylbutan-2-ol;phosphoric acid is sourced from PubChem (CID 87344448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).