6-amino-4-(2-carboxyethylamino)hexanoic acid

C9H18N2O4 — CID 54153376

IUPAC6-amino-4-(2-carboxyethylamino)hexanoic acid
SMILESNCCC(CCC(=O)O)NCCC(=O)O
InChIInChI=1S/C9H18N2O4/c10-5-3-7(1-2-8(12)13)11-6-4-9(14)15/h7,11H,1-6,10H2,(H,12,13)(H,14,15)
InChIKeyOJHYWXPJFWHDSB-UHFFFAOYSA-N
MW218.25 g/mol
LogP-0.37
Rot. Bonds9

About 6-amino-4-(2-carboxyethylamino)hexanoic acid

6-amino-4-(2-carboxyethylamino)hexanoic acid (PubChem CID 54153376) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is 6-amino-4-(2-carboxyethylamino)hexanoic acid.

Molecular Properties

Compound Name6-amino-4-(2-carboxyethylamino)hexanoic acid
PubChem CID54153376
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Name6-amino-4-(2-carboxyethylamino)hexanoic acid
SMILESNCCC(CCC(=O)O)NCCC(=O)O
InChIInChI=1S/C9H18N2O4/c10-5-3-7(1-2-8(12)13)11-6-4-9(14)15/h7,11H,1-6,10H2,(H,12,13)(H,14,15)
InChIKeyOJHYWXPJFWHDSB-UHFFFAOYSA-N
XLogP-0.37
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-0.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-(decylamino)dodecanoic acid
CID 19918566
(2S)-2-[[(2S)-2-(2-aminoethylamino)-2-carboxyethyl]amino]pentanedioic acid
CID 129095324
6-amino-4-carbamoylhexanoic acid
CID 87906467
3-(2-aminoethyl)hexanedioic acid
CID 141064631
3-[[carboxy(hydroxy)methyl]amino]propanoic acid
CID 87071682
N'-(2-aminoethyl)ethane-1,2-diamine;bis(butanedioic acid)
CID 87573177
3-acetamido-5-aminopentanoic acid
CID 91746269
6-methyl-4-(methylamino)heptanoic acid
CID 112517667
(4S)-4-[(4-methoxy-4-oxobutyl)amino]hexanoic acid
CID 87856835
3-(15N)azanyl(113C)propanoic acid
CID 11366951
4,7,10-trihydroxytridecanedioic acid
CID 174508120
3-[(1-methoxy-1-oxobutan-2-yl)amino]propanoic acid
CID 115352380

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(2-carboxyethylamino)hexanoic acid?
The IUPAC name of 6-amino-4-(2-carboxyethylamino)hexanoic acid (CID 54153376) is 6-amino-4-(2-carboxyethylamino)hexanoic acid.
What is the SMILES notation for 6-amino-4-(2-carboxyethylamino)hexanoic acid?
The canonical SMILES for 6-amino-4-(2-carboxyethylamino)hexanoic acid is NCCC(CCC(=O)O)NCCC(=O)O.
What is the InChIKey of 6-amino-4-(2-carboxyethylamino)hexanoic acid?
The InChIKey is OJHYWXPJFWHDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4/c10-5-3-7(1-2-8(12)13)11-6-4-9(14)15/h7,11H,1-6,10H2,(H,12,13)(H,14,15).
What are the key properties of 6-amino-4-(2-carboxyethylamino)hexanoic acid?
6-amino-4-(2-carboxyethylamino)hexanoic acid has a molecular weight of 218.25 g/mol, XLogP of -0.37, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(2-carboxyethylamino)hexanoic acid is sourced from PubChem (CID 54153376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).