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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Related Compounds

(3S,4S)-4-amino-3-hydroxy-6-methylheptanoic acid
CID 157049939
5-amino-2,7-dimethyloctan-4-ol
CID 54358847
3-amino-5-methylhexane-1,2-diol
CID 85255378
5-amino-2-methylheptan-4-ol
CID 21419745
(3S,4S,9S)-4,9-diamino-5,8-dihydroxy-3,11-dimethyldodecan-6-one
CID 18610389
(3R,4S)-4-aminohexan-3-ol
CID 640991
(4S,6R)-4,6-diamino-2,8-dimethylnonan-5-ol
CID 10512329
(2R,4S,5S)-5-amino-4-hydroxy-N,2,7-trimethyloctanamide
CID 131863647
(1R,2R)-1,2-diamino-4-methylpentan-1-ol
CID 141008586
(3S,4S)-4-amino-3-[(3S,4S)-4-amino-3-hydroxy-6-methylheptanoyl]oxy-6-methylheptanoic acid
CID 87404801
(2S)-2-amino-N-[(2R,3S)-3-amino-2-hydroxy-5-methylhexyl]-4-methylpentanamide
CID 88667653
4-amino-2-methylundecan-5-ol
CID 72805371

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).