6-methyl-4-(methylamino)heptanoic acid

C9H19NO2 — CID 112517667

IUPAC6-methyl-4-(methylamino)heptanoic acid
SMILESCNC(CCC(=O)O)CC(C)C
InChIInChI=1S/C9H19NO2/c1-7(2)6-8(10-3)4-5-9(11)12/h7-8,10H,4-6H2,1-3H3,(H,11,12)
InChIKeyIESRAGJMAOXDCP-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.49
Rot. Bonds6

About 6-methyl-4-(methylamino)heptanoic acid

6-methyl-4-(methylamino)heptanoic acid (PubChem CID 112517667) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 6-methyl-4-(methylamino)heptanoic acid.

Molecular Properties

Compound Name6-methyl-4-(methylamino)heptanoic acid
PubChem CID112517667
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name6-methyl-4-(methylamino)heptanoic acid
SMILESCNC(CCC(=O)O)CC(C)C
InChIInChI=1S/C9H19NO2/c1-7(2)6-8(10-3)4-5-9(11)12/h7-8,10H,4-6H2,1-3H3,(H,11,12)
InChIKeyIESRAGJMAOXDCP-UHFFFAOYSA-N
XLogP1.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 6-methyl-4-(methylamino)heptanoate
CID 116955487
2-amino-6-methyl-4-(methylamino)heptanoic acid
CID 116957753
3-(2-methylpropyl)hexanedioic acid
CID 141433845
(4R)-4-amino-6-methylheptanoic acid;hydrochloride
CID 46218148
magnesium;hydride;4-methylpentanoic acid
CID 174689724
(4R)-4-(propan-2-ylamino)hexanoic acid
CID 147977969
6-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-methylhexanoic acid
CID 104903554
2-[[(1S)-1-carboxy-3-methylbutyl]carbamoylamino]pentanedioic acid
CID 88542905
ethane;6-methyl-4-(methylamino)-5-oxoheptanoic acid
CID 177135801
5-(methylamino)octanoic acid
CID 116953071
1-methoxy-N,5-dimethylhexan-3-amine
CID 61412453
3-(carboxyamino)-5-methylhexanoic acid
CID 174574418

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(methylamino)heptanoic acid?
The IUPAC name of 6-methyl-4-(methylamino)heptanoic acid (CID 112517667) is 6-methyl-4-(methylamino)heptanoic acid.
What is the SMILES notation for 6-methyl-4-(methylamino)heptanoic acid?
The canonical SMILES for 6-methyl-4-(methylamino)heptanoic acid is CNC(CCC(=O)O)CC(C)C.
What is the InChIKey of 6-methyl-4-(methylamino)heptanoic acid?
The InChIKey is IESRAGJMAOXDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-7(2)6-8(10-3)4-5-9(11)12/h7-8,10H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 6-methyl-4-(methylamino)heptanoic acid?
6-methyl-4-(methylamino)heptanoic acid has a molecular weight of 173.26 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(methylamino)heptanoic acid is sourced from PubChem (CID 112517667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).