(2S)-6-amino-2-[di(propan-2-yl)amino]hexanoic acid

C12H26N2O2 — CID 150108342

IUPAC(2S)-6-amino-2-[di(propan-2-yl)amino]hexanoic acid
SMILESCC(C)N(C(C)C)[C@@H](CCCCN)C(=O)O
InChIInChI=1S/C12H26N2O2/c1-9(2)14(10(3)4)11(12(15)16)7-5-6-8-13/h9-11H,5-8,13H2,1-4H3,(H,15,16)/t11-/m0/s1
InChIKeyDWSJZPPBFXYPHM-NSHDSACASA-N
MW230.35 g/mol
LogP1.69
Rot. Bonds8

About (2S)-6-amino-2-[di(propan-2-yl)amino]hexanoic acid

(2S)-6-amino-2-[di(propan-2-yl)amino]hexanoic acid (PubChem CID 150108342) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is (2S)-6-amino-2-[di(propan-2-yl)amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-6-amino-2-[di(propan-2-yl)amino]hexanoic acid
PubChem CID150108342
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name(2S)-6-amino-2-[di(propan-2-yl)amino]hexanoic acid
SMILESCC(C)N(C(C)C)[C@@H](CCCCN)C(=O)O
InChIInChI=1S/C12H26N2O2/c1-9(2)14(10(3)4)11(12(15)16)7-5-6-8-13/h9-11H,5-8,13H2,1-4H3,(H,15,16)/t11-/m0/s1
InChIKeyDWSJZPPBFXYPHM-NSHDSACASA-N
XLogP1.69
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.69
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

6-amino-2-(diiodoamino)hexanoic acid
CID 175237266
(2S)-6-amino-2-[ethyl(methyl)amino]hexanoic acid
CID 149149504
(2S)-6-amino-2-[methyl(propyl)amino]hexanoic acid
CID 150390621
(2R)-6-amino-2-methylhexanoic acid
CID 92976969
6-amino-2-[1-(dimethylamino)propan-2-yl-ethylamino]hexanoic acid
CID 112745824
(2S)-6-amino-2-(dipentylamino)hexanoic acid
CID 57295047
(2S)-6-amino-2-[(2-deuterioacetyl)-methylamino]hexanoic acid
CID 153428240
(2S)-6-amino-2-(dinitroamino)hexanoic acid
CID 87748918
(2S)-6-amino-2-[hydroxy(phosphono)amino]hexanoic acid
CID 54536172
hexane-1,6-diamine;2-methylpropanoic acid
CID 21426939
6-amino-2-(dihydroxyamino)hexanoic acid;2-aminohexanoic acid
CID 135340868
(2S)-6-amino-2-[hydroxy(phosphonomethyl)amino]hexanoic acid
CID 25153752

Frequently Asked Questions

What is the IUPAC name of (2S)-6-amino-2-[di(propan-2-yl)amino]hexanoic acid?
The IUPAC name of (2S)-6-amino-2-[di(propan-2-yl)amino]hexanoic acid (CID 150108342) is (2S)-6-amino-2-[di(propan-2-yl)amino]hexanoic acid.
What is the SMILES notation for (2S)-6-amino-2-[di(propan-2-yl)amino]hexanoic acid?
The canonical SMILES for (2S)-6-amino-2-[di(propan-2-yl)amino]hexanoic acid is CC(C)N(C(C)C)[C@@H](CCCCN)C(=O)O.
What is the InChIKey of (2S)-6-amino-2-[di(propan-2-yl)amino]hexanoic acid?
The InChIKey is DWSJZPPBFXYPHM-NSHDSACASA-N. The full InChI is InChI=1S/C12H26N2O2/c1-9(2)14(10(3)4)11(12(15)16)7-5-6-8-13/h9-11H,5-8,13H2,1-4H3,(H,15,16)/t11-/m0/s1.
What are the key properties of (2S)-6-amino-2-[di(propan-2-yl)amino]hexanoic acid?
(2S)-6-amino-2-[di(propan-2-yl)amino]hexanoic acid has a molecular weight of 230.35 g/mol, XLogP of 1.69, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-amino-2-[di(propan-2-yl)amino]hexanoic acid is sourced from PubChem (CID 150108342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).