2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]hexanoic acid

C11H22N2O3 — CID 103247599

IUPAC2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]hexanoic acid
SMILESCCCCC(NC(C)C(=O)N(C)C)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-5-6-7-9(11(15)16)12-8(2)10(14)13(3)4/h8-9,12H,5-7H2,1-4H3,(H,15,16)
InChIKeyOSYZBEGGUCSHBR-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.70
Rot. Bonds7

About 2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]hexanoic acid

2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]hexanoic acid (PubChem CID 103247599) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]hexanoic acid.

Molecular Properties

Compound Name2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]hexanoic acid
PubChem CID103247599
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]hexanoic acid
SMILESCCCCC(NC(C)C(=O)N(C)C)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-5-6-7-9(11(15)16)12-8(2)10(14)13(3)4/h8-9,12H,5-7H2,1-4H3,(H,15,16)
InChIKeyOSYZBEGGUCSHBR-UHFFFAOYSA-N
XLogP0.70
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-carboxypentylamino)hexanoic acid
CID 22643835
2-(pentan-2-ylamino)hexanoic acid
CID 103231809
2-(propan-2-ylamino)heptanoic acid
CID 43754297
2-(4-hydroxybutan-2-ylamino)hexanoic acid
CID 103262235
(2R)-2-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid
CID 107566462
(2S)-2-(4,4-dimethylpentan-2-ylamino)hexanoic acid
CID 122044614
2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]hexanoic acid
CID 103112638
(2R)-2-[[(2S)-1-(butylamino)-1-oxopropan-2-yl]amino]pentanoic acid
CID 129365438
2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]hexanoic acid
CID 61199942
2-(1-propan-2-yloxypropan-2-ylamino)hexanoic acid
CID 122039513
(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]hexanoic acid
CID 139904392
(2S)-2-[[(2R)-2-(dimethylamino)-3-methylbutanoyl]amino]hexanoic acid
CID 120614783

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]hexanoic acid?
The IUPAC name of 2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]hexanoic acid (CID 103247599) is 2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]hexanoic acid.
What is the SMILES notation for 2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]hexanoic acid?
The canonical SMILES for 2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]hexanoic acid is CCCCC(NC(C)C(=O)N(C)C)C(=O)O.
What is the InChIKey of 2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]hexanoic acid?
The InChIKey is OSYZBEGGUCSHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-5-6-7-9(11(15)16)12-8(2)10(14)13(3)4/h8-9,12H,5-7H2,1-4H3,(H,15,16).
What are the key properties of 2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]hexanoic acid?
2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]hexanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]hexanoic acid is sourced from PubChem (CID 103247599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).