6-[(2-aminoacetyl)amino]hexanoic acid;methane

C9H20N2O3 — CID 144591322

IUPAC6-[(2-aminoacetyl)amino]hexanoic acid;methane
SMILESC.NCC(=O)NCCCCCC(=O)O
InChIInChI=1S/C8H16N2O3.CH4/c9-6-7(11)10-5-3-1-2-4-8(12)13;/h1-6,9H2,(H,10,11)(H,12,13);1H4
InChIKeyYCEAUKCHAHAGSZ-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.34
Rot. Bonds7

About 6-[(2-aminoacetyl)amino]hexanoic acid;methane

6-[(2-aminoacetyl)amino]hexanoic acid;methane (PubChem CID 144591322) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is 6-[(2-aminoacetyl)amino]hexanoic acid;methane.

Molecular Properties

Compound Name6-[(2-aminoacetyl)amino]hexanoic acid;methane
PubChem CID144591322
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC Name6-[(2-aminoacetyl)amino]hexanoic acid;methane
SMILESC.NCC(=O)NCCCCCC(=O)O
InChIInChI=1S/C8H16N2O3.CH4/c9-6-7(11)10-5-3-1-2-4-8(12)13;/h1-6,9H2,(H,10,11)(H,12,13);1H4
InChIKeyYCEAUKCHAHAGSZ-UHFFFAOYSA-N
XLogP0.34
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

11-(3-aminopropanoylamino)undecanoic acid
CID 170417456
12-[[14-(11-carboxyundecylamino)-14-oxotetradecanoyl]amino]dodecanoic acid
CID 139798562
9-[6-(8-carboxyoctanoylamino)hexylamino]-9-oxononanoic acid
CID 139798563
15-(6-aminohexanoylamino)pentadecanoic acid
CID 170598253
8-(8-aminooctanoylamino)octanoic acid
CID 16654921
12-(4-carboxybutanoylamino)dodecanoic acid
CID 141106762
acetic acid;2-amino-N-[10-[(2-aminoacetyl)amino]decyl]acetamide
CID 54606253
azane;6-[6-(5-carboxypentanoylamino)hexylamino]-6-oxohexanoic acid
CID 170853910
11-(3-aminopropanoylamino)undecanoic acid;ethane
CID 170598343
6-(5-aminopentanoylamino)hexanoic acid;ethane
CID 144538701
11-(5-aminopentanoylamino)undecanoic acid;ethane
CID 170598390
4-[6-(3-carboxypropanoylamino)hexylamino]-4-oxobutanoic acid
CID 3888239

Frequently Asked Questions

What is the IUPAC name of 6-[(2-aminoacetyl)amino]hexanoic acid;methane?
The IUPAC name of 6-[(2-aminoacetyl)amino]hexanoic acid;methane (CID 144591322) is 6-[(2-aminoacetyl)amino]hexanoic acid;methane.
What is the SMILES notation for 6-[(2-aminoacetyl)amino]hexanoic acid;methane?
The canonical SMILES for 6-[(2-aminoacetyl)amino]hexanoic acid;methane is C.NCC(=O)NCCCCCC(=O)O.
What is the InChIKey of 6-[(2-aminoacetyl)amino]hexanoic acid;methane?
The InChIKey is YCEAUKCHAHAGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3.CH4/c9-6-7(11)10-5-3-1-2-4-8(12)13;/h1-6,9H2,(H,10,11)(H,12,13);1H4.
What are the key properties of 6-[(2-aminoacetyl)amino]hexanoic acid;methane?
6-[(2-aminoacetyl)amino]hexanoic acid;methane has a molecular weight of 204.27 g/mol, XLogP of 0.34, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-aminoacetyl)amino]hexanoic acid;methane is sourced from PubChem (CID 144591322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).