5-amino-2-(methylamino)hexanoic acid

C7H16N2O2 — CID 139342913

IUPAC5-amino-2-(methylamino)hexanoic acid
SMILESCNC(CCC(C)N)C(=O)O
InChIInChI=1S/C7H16N2O2/c1-5(8)3-4-6(9-2)7(10)11/h5-6,9H,3-4,8H2,1-2H3,(H,10,11)
InChIKeyQALDJORGEGEJRY-UHFFFAOYSA-N
MW160.22 g/mol
LogP-0.21
Rot. Bonds5

About 5-amino-2-(methylamino)hexanoic acid

5-amino-2-(methylamino)hexanoic acid (PubChem CID 139342913) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 5-amino-2-(methylamino)hexanoic acid.

Molecular Properties

Compound Name5-amino-2-(methylamino)hexanoic acid
PubChem CID139342913
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name5-amino-2-(methylamino)hexanoic acid
SMILESCNC(CCC(C)N)C(=O)O
InChIInChI=1S/C7H16N2O2/c1-5(8)3-4-6(9-2)7(10)11/h5-6,9H,3-4,8H2,1-2H3,(H,10,11)
InChIKeyQALDJORGEGEJRY-UHFFFAOYSA-N
XLogP-0.21
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-5-fluoro-2-(methylamino)pentanoic acid
CID 87457639
6-methyl-2-(methylamino)heptanoic acid
CID 91290146
(2R)-2-(methylamino)pentanoic acid
CID 15677248
2,5-bis(methylamino)hexanediamide
CID 66221520
(2S,6S)-6-amino-2-methylheptanoic acid
CID 93493350
5-amino-2-(methylamino)pentanoic acid;hydrochloride
CID 23216389
(2S)-6-amino-2-(methylamino)-6-oxohexanoic acid
CID 177277672
(2S)-6-amino-2-(methylamino)-7-oxooctanoic acid
CID 87407162
5-(diaminomethylamino)-2-(methylamino)pentanoic acid
CID 134576168
5-amino-2-methylhexanamide
CID 71433088
6-amino-3-methylheptan-2-one
CID 171808053
(2S)-6-amino-2-(methylamino)hexanoic acid;dihydrochloride
CID 22872767

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(methylamino)hexanoic acid?
The IUPAC name of 5-amino-2-(methylamino)hexanoic acid (CID 139342913) is 5-amino-2-(methylamino)hexanoic acid.
What is the SMILES notation for 5-amino-2-(methylamino)hexanoic acid?
The canonical SMILES for 5-amino-2-(methylamino)hexanoic acid is CNC(CCC(C)N)C(=O)O.
What is the InChIKey of 5-amino-2-(methylamino)hexanoic acid?
The InChIKey is QALDJORGEGEJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-5(8)3-4-6(9-2)7(10)11/h5-6,9H,3-4,8H2,1-2H3,(H,10,11).
What are the key properties of 5-amino-2-(methylamino)hexanoic acid?
5-amino-2-(methylamino)hexanoic acid has a molecular weight of 160.22 g/mol, XLogP of -0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(methylamino)hexanoic acid is sourced from PubChem (CID 139342913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).