4-amino-6-methylheptan-3-ol;carbonic acid

C9H21NO4 — CID 88724279

IUPAC4-amino-6-methylheptan-3-ol;carbonic acid
SMILESCCC(O)C(N)CC(C)C.O=C(O)O
InChIInChI=1S/C8H19NO.CH2O3/c1-4-8(10)7(9)5-6(2)3;2-1(3)4/h6-8,10H,4-5,9H2,1-3H3;(H2,2,3,4)
InChIKeyFFJUQXNSYHSFQL-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.35
Rot. Bonds4

About 4-amino-6-methylheptan-3-ol;carbonic acid

4-amino-6-methylheptan-3-ol;carbonic acid (PubChem CID 88724279) has the molecular formula C9H21NO4 and a molecular weight of 207.27 g/mol. Its IUPAC name is 4-amino-6-methylheptan-3-ol;carbonic acid.

Molecular Properties

Compound Name4-amino-6-methylheptan-3-ol;carbonic acid
PubChem CID88724279
Molecular FormulaC9H21NO4
Molecular Weight207.27 g/mol
Exact Mass207.15
IUPAC Name4-amino-6-methylheptan-3-ol;carbonic acid
SMILESCCC(O)C(N)CC(C)C.O=C(O)O
InChIInChI=1S/C8H19NO.CH2O3/c1-4-8(10)7(9)5-6(2)3;2-1(3)4/h6-8,10H,4-5,9H2,1-3H3;(H2,2,3,4)
InChIKeyFFJUQXNSYHSFQL-UHFFFAOYSA-N
XLogP1.35
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methylheptan-3-ol;carbonic acid?
The IUPAC name of 4-amino-6-methylheptan-3-ol;carbonic acid (CID 88724279) is 4-amino-6-methylheptan-3-ol;carbonic acid.
What is the SMILES notation for 4-amino-6-methylheptan-3-ol;carbonic acid?
The canonical SMILES for 4-amino-6-methylheptan-3-ol;carbonic acid is CCC(O)C(N)CC(C)C.O=C(O)O.
What is the InChIKey of 4-amino-6-methylheptan-3-ol;carbonic acid?
The InChIKey is FFJUQXNSYHSFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO.CH2O3/c1-4-8(10)7(9)5-6(2)3;2-1(3)4/h6-8,10H,4-5,9H2,1-3H3;(H2,2,3,4).
What are the key properties of 4-amino-6-methylheptan-3-ol;carbonic acid?
4-amino-6-methylheptan-3-ol;carbonic acid has a molecular weight of 207.27 g/mol, XLogP of 1.35, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methylheptan-3-ol;carbonic acid is sourced from PubChem (CID 88724279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).