5-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]hexanoic acid

C12H24N2O3 — CID 103930433

IUPAC5-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-8(6-5-7-9(15)16)14-11(17)10(13)12(2,3)4/h8,10H,5-7,13H2,1-4H3,(H,14,17)(H,15,16)/t8?,10-/m0/s1
InChIKeyFVALCRMECACMKT-HTLJXXAVSA-N
MW244.33 g/mol
LogP1.12
Rot. Bonds6

About 5-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]hexanoic acid

5-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]hexanoic acid (PubChem CID 103930433) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 5-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]hexanoic acid.

Molecular Properties

Compound Name5-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]hexanoic acid
PubChem CID103930433
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name5-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-8(6-5-7-9(15)16)14-11(17)10(13)12(2,3)4/h8,10H,5-7,13H2,1-4H3,(H,14,17)(H,15,16)/t8?,10-/m0/s1
InChIKeyFVALCRMECACMKT-HTLJXXAVSA-N
XLogP1.12
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]butanoic acid
CID 61161578
(2S)-2-amino-N-heptan-2-yl-3,3-dimethylbutanamide
CID 61154567
5-[[(2R)-2-amino-4-methylpentanoyl]amino]hexanoic acid
CID 104903890
(2R)-2-amino-3,3-dimethyl-N-(4-methylpentan-2-yl)butanamide
CID 103928461
(2S)-2-amino-N-[1-(dimethylamino)propan-2-yl]-3,3-dimethylbutanamide
CID 82945253
5-(tert-butylcarbamoylamino)hexanoic acid
CID 82854644
5-[[(2R)-2-amino-2-phenylacetyl]amino]hexanoic acid
CID 82847398
5-[(2-amino-2-phenylacetyl)amino]hexanoic acid
CID 82845613
5-[(2-aminoacetyl)amino]hexanoic acid
CID 82846044
(2R)-2-amino-3,3-dimethyl-N-(1-methylsulfonylpropan-2-yl)butanamide
CID 103930040
(2R)-2-amino-N-(1-cyclopropylpropan-2-yl)-3,3-dimethylbutanamide
CID 103929976
5-[[2-(aminomethyl)-2-methylbutanoyl]amino]hexanoic acid
CID 82847755

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]hexanoic acid?
The IUPAC name of 5-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]hexanoic acid (CID 103930433) is 5-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]hexanoic acid.
What is the SMILES notation for 5-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]hexanoic acid?
The canonical SMILES for 5-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]hexanoic acid is CC(CCCC(=O)O)NC(=O)[C@H](N)C(C)(C)C.
What is the InChIKey of 5-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]hexanoic acid?
The InChIKey is FVALCRMECACMKT-HTLJXXAVSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-8(6-5-7-9(15)16)14-11(17)10(13)12(2,3)4/h8,10H,5-7,13H2,1-4H3,(H,14,17)(H,15,16)/t8?,10-/m0/s1.
What are the key properties of 5-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]hexanoic acid?
5-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]hexanoic acid has a molecular weight of 244.33 g/mol, XLogP of 1.12, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]hexanoic acid is sourced from PubChem (CID 103930433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).