5-[[2-(aminomethyl)-2-methylbutanoyl]amino]hexanoic acid

C12H24N2O3 — CID 82847755

IUPAC5-[[2-(aminomethyl)-2-methylbutanoyl]amino]hexanoic acid
SMILESCCC(C)(CN)C(=O)NC(C)CCCC(=O)O
InChIInChI=1S/C12H24N2O3/c1-4-12(3,8-13)11(17)14-9(2)6-5-7-10(15)16/h9H,4-8,13H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyBCWPSDGBKCGSED-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.12
Rot. Bonds8

About 5-[[2-(aminomethyl)-2-methylbutanoyl]amino]hexanoic acid

5-[[2-(aminomethyl)-2-methylbutanoyl]amino]hexanoic acid (PubChem CID 82847755) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 5-[[2-(aminomethyl)-2-methylbutanoyl]amino]hexanoic acid.

Molecular Properties

Compound Name5-[[2-(aminomethyl)-2-methylbutanoyl]amino]hexanoic acid
PubChem CID82847755
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name5-[[2-(aminomethyl)-2-methylbutanoyl]amino]hexanoic acid
SMILESCCC(C)(CN)C(=O)NC(C)CCCC(=O)O
InChIInChI=1S/C12H24N2O3/c1-4-12(3,8-13)11(17)14-9(2)6-5-7-10(15)16/h9H,4-8,13H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyBCWPSDGBKCGSED-UHFFFAOYSA-N
XLogP1.12
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
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

Analyze 5-[[2-(aminomethyl)-2-methylbutanoyl]amino]hexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(tert-butylcarbamoylamino)hexanoic acid
CID 82854644
5-[(2-aminoacetyl)amino]hexanoic acid
CID 82846044
5-(3-ethylpentan-3-ylcarbamoylamino)hexanoic acid
CID 82848932
5-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]hexanoic acid
CID 103930433
5-(ethoxycarbonylamino)hexanoic acid
CID 82855012
4-[(3-amino-2,2,3-trimethylbutanoyl)amino]pentanoic acid
CID 65267384
5-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]hexanoic acid
CID 114143104
5-(pentan-2-ylcarbamoylamino)hexanoic acid
CID 82845875
(2R)-2-[(3-amino-2,2-dimethylpropanoyl)amino]hexanedioic acid
CID 107835553
5-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]hexanoic acid
CID 82848167
5-(heptan-2-ylcarbamoylamino)hexanoic acid
CID 82848165
5-[(6-amino-4-methylhexanoyl)amino]hexanoic acid
CID 82847592

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(aminomethyl)-2-methylbutanoyl]amino]hexanoic acid?
The IUPAC name of 5-[[2-(aminomethyl)-2-methylbutanoyl]amino]hexanoic acid (CID 82847755) is 5-[[2-(aminomethyl)-2-methylbutanoyl]amino]hexanoic acid.
What is the SMILES notation for 5-[[2-(aminomethyl)-2-methylbutanoyl]amino]hexanoic acid?
The canonical SMILES for 5-[[2-(aminomethyl)-2-methylbutanoyl]amino]hexanoic acid is CCC(C)(CN)C(=O)NC(C)CCCC(=O)O.
What is the InChIKey of 5-[[2-(aminomethyl)-2-methylbutanoyl]amino]hexanoic acid?
The InChIKey is BCWPSDGBKCGSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-4-12(3,8-13)11(17)14-9(2)6-5-7-10(15)16/h9H,4-8,13H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of 5-[[2-(aminomethyl)-2-methylbutanoyl]amino]hexanoic acid?
5-[[2-(aminomethyl)-2-methylbutanoyl]amino]hexanoic acid has a molecular weight of 244.33 g/mol, XLogP of 1.12, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(aminomethyl)-2-methylbutanoyl]amino]hexanoic acid is sourced from PubChem (CID 82847755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).