5-[(2-aminoacetyl)amino]hexanoic acid

C8H16N2O3 — CID 82846044

IUPAC5-[(2-aminoacetyl)amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)CN
InChIInChI=1S/C8H16N2O3/c1-6(10-7(11)5-9)3-2-4-8(12)13/h6H,2-5,9H2,1H3,(H,10,11)(H,12,13)
InChIKeyHLOUBOAPJXWQPO-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.30
Rot. Bonds6

About 5-[(2-aminoacetyl)amino]hexanoic acid

5-[(2-aminoacetyl)amino]hexanoic acid (PubChem CID 82846044) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 5-[(2-aminoacetyl)amino]hexanoic acid.

Molecular Properties

Compound Name5-[(2-aminoacetyl)amino]hexanoic acid
PubChem CID82846044
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name5-[(2-aminoacetyl)amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)CN
InChIInChI=1S/C8H16N2O3/c1-6(10-7(11)5-9)3-2-4-8(12)13/h6H,2-5,9H2,1H3,(H,10,11)(H,12,13)
InChIKeyHLOUBOAPJXWQPO-UHFFFAOYSA-N
XLogP-0.30
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-[(2-aminoacetyl)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-[[2-[(2-aminoacetyl)amino]acetyl]amino]hexanoic acid
CID 82847762
5-[(6-amino-4-methylhexanoyl)amino]hexanoic acid
CID 82847592
2-amino-N-(6-methylheptan-2-yl)acetamide
CID 60718868
5-[[4-(2-aminoethyl)-5-methylhexanoyl]amino]hexanoic acid
CID 82847041
5-[[2-(2-aminoethoxy)acetyl]amino]hexanoic acid
CID 82846274
5-[(2-methylsulfanylacetyl)amino]hexanoic acid
CID 82854400
5-(3-methylpentanoylamino)hexanoic acid
CID 114873856
5-[3-(propan-2-ylamino)propanoylamino]hexanoic acid
CID 82846309
5-[[2-[2-(aminomethyl)phenyl]acetyl]amino]hexanoic acid
CID 82845827
5-(ethoxycarbonylamino)hexanoic acid
CID 82855012
5-[[2-(4-aminophenyl)acetyl]amino]hexanoic acid
CID 82846901
5-(propan-2-ylamino)hexanoic acid
CID 82848277

Frequently Asked Questions

What is the IUPAC name of 5-[(2-aminoacetyl)amino]hexanoic acid?
The IUPAC name of 5-[(2-aminoacetyl)amino]hexanoic acid (CID 82846044) is 5-[(2-aminoacetyl)amino]hexanoic acid.
What is the SMILES notation for 5-[(2-aminoacetyl)amino]hexanoic acid?
The canonical SMILES for 5-[(2-aminoacetyl)amino]hexanoic acid is CC(CCCC(=O)O)NC(=O)CN.
What is the InChIKey of 5-[(2-aminoacetyl)amino]hexanoic acid?
The InChIKey is HLOUBOAPJXWQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-6(10-7(11)5-9)3-2-4-8(12)13/h6H,2-5,9H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 5-[(2-aminoacetyl)amino]hexanoic acid?
5-[(2-aminoacetyl)amino]hexanoic acid has a molecular weight of 188.23 g/mol, XLogP of -0.30, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-aminoacetyl)amino]hexanoic acid is sourced from PubChem (CID 82846044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).