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

C10H19N3O4 — CID 82847762

IUPAC5-[[2-[(2-aminoacetyl)amino]acetyl]amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)CNC(=O)CN
InChIInChI=1S/C10H19N3O4/c1-7(3-2-4-10(16)17)13-9(15)6-12-8(14)5-11/h7H,2-6,11H2,1H3,(H,12,14)(H,13,15)(H,16,17)
InChIKeyKMKHIXNLHLQLHO-UHFFFAOYSA-N
MW245.28 g/mol
LogP-1.18
Rot. Bonds8

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

5-[[2-[(2-aminoacetyl)amino]acetyl]amino]hexanoic acid (PubChem CID 82847762) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is 5-[[2-[(2-aminoacetyl)amino]acetyl]amino]hexanoic acid.

Molecular Properties

Compound Name5-[[2-[(2-aminoacetyl)amino]acetyl]amino]hexanoic acid
PubChem CID82847762
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name5-[[2-[(2-aminoacetyl)amino]acetyl]amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)CNC(=O)CN
InChIInChI=1S/C10H19N3O4/c1-7(3-2-4-10(16)17)13-9(15)6-12-8(14)5-11/h7H,2-6,11H2,1H3,(H,12,14)(H,13,15)(H,16,17)
InChIKeyKMKHIXNLHLQLHO-UHFFFAOYSA-N
XLogP-1.18
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-1.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 5-[[2-[(2-aminoacetyl)amino]acetyl]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-aminoacetyl)amino]hexanoic acid
CID 82846044
4-[[2-(3-carboxypropanoylamino)acetyl]amino]pentanoic acid
CID 134182114
5-[(6-amino-4-methylhexanoyl)amino]hexanoic acid
CID 82847592
2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 18487621
5-[[4-(2-aminoethyl)-5-methylhexanoyl]amino]hexanoic acid
CID 82847041
6-oxo-6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]hexanoic acid
CID 43567860
5-[[2-(2-aminoethoxy)acetyl]amino]hexanoic acid
CID 82846274
5-[[2-[2-(aminomethyl)phenyl]acetyl]amino]hexanoic acid
CID 82845827
5-[(2-methylsulfanylacetyl)amino]hexanoic acid
CID 82854400
5-[[2-(4-aminophenyl)acetyl]amino]hexanoic acid
CID 82846901
5-[3-(propan-2-ylamino)propanoylamino]hexanoic acid
CID 82846309
5-(3-methylpentanoylamino)hexanoic acid
CID 114873856

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[(2-aminoacetyl)amino]acetyl]amino]hexanoic acid?
The IUPAC name of 5-[[2-[(2-aminoacetyl)amino]acetyl]amino]hexanoic acid (CID 82847762) is 5-[[2-[(2-aminoacetyl)amino]acetyl]amino]hexanoic acid.
What is the SMILES notation for 5-[[2-[(2-aminoacetyl)amino]acetyl]amino]hexanoic acid?
The canonical SMILES for 5-[[2-[(2-aminoacetyl)amino]acetyl]amino]hexanoic acid is CC(CCCC(=O)O)NC(=O)CNC(=O)CN.
What is the InChIKey of 5-[[2-[(2-aminoacetyl)amino]acetyl]amino]hexanoic acid?
The InChIKey is KMKHIXNLHLQLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-7(3-2-4-10(16)17)13-9(15)6-12-8(14)5-11/h7H,2-6,11H2,1H3,(H,12,14)(H,13,15)(H,16,17).
What are the key properties of 5-[[2-[(2-aminoacetyl)amino]acetyl]amino]hexanoic acid?
5-[[2-[(2-aminoacetyl)amino]acetyl]amino]hexanoic acid has a molecular weight of 245.28 g/mol, XLogP of -1.18, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[(2-aminoacetyl)amino]acetyl]amino]hexanoic acid is sourced from PubChem (CID 82847762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).