2-amino-6-methyl-4-(methylamino)heptanoic acid

C9H20N2O2 — CID 116957753

IUPAC2-amino-6-methyl-4-(methylamino)heptanoic acid
SMILESCNC(CC(C)C)CC(N)C(=O)O
InChIInChI=1S/C9H20N2O2/c1-6(2)4-7(11-3)5-8(10)9(12)13/h6-8,11H,4-5,10H2,1-3H3,(H,12,13)
InChIKeyRMCXGBVKDNHKPD-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.42
Rot. Bonds6

About 2-amino-6-methyl-4-(methylamino)heptanoic acid

2-amino-6-methyl-4-(methylamino)heptanoic acid (PubChem CID 116957753) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-amino-6-methyl-4-(methylamino)heptanoic acid.

Molecular Properties

Compound Name2-amino-6-methyl-4-(methylamino)heptanoic acid
PubChem CID116957753
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name2-amino-6-methyl-4-(methylamino)heptanoic acid
SMILESCNC(CC(C)C)CC(N)C(=O)O
InChIInChI=1S/C9H20N2O2/c1-6(2)4-7(11-3)5-8(10)9(12)13/h6-8,11H,4-5,10H2,1-3H3,(H,12,13)
InChIKeyRMCXGBVKDNHKPD-UHFFFAOYSA-N
XLogP0.42
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(15N)azanyl-4-methyl(213C)pentanoic acid
CID 71309151
2-amino-4-methylpentanoic acid;chromium
CID 88640601
(2S)-2-amino-4-methylpentanoic acid;hydrazine
CID 160824424
(2S)-2-amino-4-methylpentanoic acid;cerium
CID 86698944
CID 6369563
CID 6369563
acetaldehyde;(2R)-2-amino-4-methylpentanoic acid
CID 155104074
bis((2S)-2-amino-4-methylpentanoic acid);bis((2S)-2-aminopropanoic acid)
CID 57354298
sodium;(2S)-2-amino-4-methylpentanoic acid;hydride
CID 173065319
(2S)-2-amino-4-methylpentanoic acid;oxovanadium
CID 175017880
(2S)-2-amino-4-methylpentanoic acid;2-hydroxyacetic acid
CID 160585227
(2S)-2-amino-4-methylpentanoic acid;propanoic acid
CID 158078275
acetyl chloride;(2S)-2-amino-4-methylpentanoic acid;hydrochloride
CID 56924245

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-4-(methylamino)heptanoic acid?
The IUPAC name of 2-amino-6-methyl-4-(methylamino)heptanoic acid (CID 116957753) is 2-amino-6-methyl-4-(methylamino)heptanoic acid.
What is the SMILES notation for 2-amino-6-methyl-4-(methylamino)heptanoic acid?
The canonical SMILES for 2-amino-6-methyl-4-(methylamino)heptanoic acid is CNC(CC(C)C)CC(N)C(=O)O.
What is the InChIKey of 2-amino-6-methyl-4-(methylamino)heptanoic acid?
The InChIKey is RMCXGBVKDNHKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-6(2)4-7(11-3)5-8(10)9(12)13/h6-8,11H,4-5,10H2,1-3H3,(H,12,13).
What are the key properties of 2-amino-6-methyl-4-(methylamino)heptanoic acid?
2-amino-6-methyl-4-(methylamino)heptanoic acid has a molecular weight of 188.27 g/mol, XLogP of 0.42, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-4-(methylamino)heptanoic acid is sourced from PubChem (CID 116957753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).