(2S)-6-amino-2-[ethyl(methyl)amino]hexanoic acid

C9H20N2O2 — CID 149149504

IUPAC(2S)-6-amino-2-[ethyl(methyl)amino]hexanoic acid
SMILESCCN(C)[C@@H](CCCCN)C(=O)O
InChIInChI=1S/C9H20N2O2/c1-3-11(2)8(9(12)13)6-4-5-7-10/h8H,3-7,10H2,1-2H3,(H,12,13)/t8-/m0/s1
InChIKeyFMLFDMWWMJPRHN-QMMMGPOBSA-N
MW188.27 g/mol
LogP0.52
Rot. Bonds7

About (2S)-6-amino-2-[ethyl(methyl)amino]hexanoic acid

(2S)-6-amino-2-[ethyl(methyl)amino]hexanoic acid (PubChem CID 149149504) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is (2S)-6-amino-2-[ethyl(methyl)amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-6-amino-2-[ethyl(methyl)amino]hexanoic acid
PubChem CID149149504
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name(2S)-6-amino-2-[ethyl(methyl)amino]hexanoic acid
SMILESCCN(C)[C@@H](CCCCN)C(=O)O
InChIInChI=1S/C9H20N2O2/c1-3-11(2)8(9(12)13)6-4-5-7-10/h8H,3-7,10H2,1-2H3,(H,12,13)/t8-/m0/s1
InChIKeyFMLFDMWWMJPRHN-QMMMGPOBSA-N
XLogP0.52
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-6-amino-2-[methyl(propyl)amino]hexanoic acid
CID 150390621
6-amino-2-[1-(dimethylamino)propan-2-yl-ethylamino]hexanoic acid
CID 112745824
(2S)-6-amino-2-[di(propan-2-yl)amino]hexanoic acid
CID 150108342
6-amino-2-(diiodoamino)hexanoic acid
CID 175237266
(2S)-6-amino-2-(dipentylamino)hexanoic acid
CID 57295047
(2S)-6-amino-2-[(2-deuterioacetyl)-methylamino]hexanoic acid
CID 153428240
2-(dimethylamino)pentanoic acid;dodecan-1-amine
CID 172752605
2,7-bis(diethylamino)octanedioic acid
CID 175151576
2-[dodecyl(methyl)amino]icosanoic acid
CID 139370856
6-amino-2-(dihydroxyamino)hexanoic acid;2-aminohexanoic acid
CID 135340868
4-amino-2-[3-(dimethylamino)propyl-methylamino]butanoic acid
CID 64694003
(2S)-6-amino-2-(dinitroamino)hexanoic acid
CID 87748918

Frequently Asked Questions

What is the IUPAC name of (2S)-6-amino-2-[ethyl(methyl)amino]hexanoic acid?
The IUPAC name of (2S)-6-amino-2-[ethyl(methyl)amino]hexanoic acid (CID 149149504) is (2S)-6-amino-2-[ethyl(methyl)amino]hexanoic acid.
What is the SMILES notation for (2S)-6-amino-2-[ethyl(methyl)amino]hexanoic acid?
The canonical SMILES for (2S)-6-amino-2-[ethyl(methyl)amino]hexanoic acid is CCN(C)[C@@H](CCCCN)C(=O)O.
What is the InChIKey of (2S)-6-amino-2-[ethyl(methyl)amino]hexanoic acid?
The InChIKey is FMLFDMWWMJPRHN-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-3-11(2)8(9(12)13)6-4-5-7-10/h8H,3-7,10H2,1-2H3,(H,12,13)/t8-/m0/s1.
What are the key properties of (2S)-6-amino-2-[ethyl(methyl)amino]hexanoic acid?
(2S)-6-amino-2-[ethyl(methyl)amino]hexanoic acid has a molecular weight of 188.27 g/mol, XLogP of 0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-amino-2-[ethyl(methyl)amino]hexanoic acid is sourced from PubChem (CID 149149504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).