ethane;2-[ethyl-[(Z)-prop-2-enylideneamino]amino]acetic acid

C9H18N2O2 — CID 143604684

IUPACethane;2-[ethyl-[(Z)-prop-2-enylideneamino]amino]acetic acid
SMILESC=C/C=N\N(CC)CC(=O)O.CC
InChIInChI=1S/C7H12N2O2.C2H6/c1-3-5-8-9(4-2)6-7(10)11;1-2/h3,5H,1,4,6H2,2H3,(H,10,11);1-2H3/b8-5-;
InChIKeyHJZKQYWWPUDLJG-HGKIGUAWSA-N
MW186.25 g/mol
LogP1.59
Rot. Bonds5

About ethane;2-[ethyl-[(Z)-prop-2-enylideneamino]amino]acetic acid

ethane;2-[ethyl-[(Z)-prop-2-enylideneamino]amino]acetic acid (PubChem CID 143604684) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is ethane;2-[ethyl-[(Z)-prop-2-enylideneamino]amino]acetic acid.

Molecular Properties

Compound Nameethane;2-[ethyl-[(Z)-prop-2-enylideneamino]amino]acetic acid
PubChem CID143604684
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Nameethane;2-[ethyl-[(Z)-prop-2-enylideneamino]amino]acetic acid
SMILESC=C/C=N\N(CC)CC(=O)O.CC
InChIInChI=1S/C7H12N2O2.C2H6/c1-3-5-8-9(4-2)6-7(10)11;1-2/h3,5H,1,4,6H2,2H3,(H,10,11);1-2H3/b8-5-;
InChIKeyHJZKQYWWPUDLJG-HGKIGUAWSA-N
XLogP1.59
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

buta-1,3-diene;2-(diethylamino)acetic acid
CID 87268914
N-methyl-N-[(E)-prop-2-enylideneamino]ethanamine
CID 90211188
buta-1,3-diene;propanoic acid
CID 175603482
ethane;2-[ethyl-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]acetic acid
CID 143432503
2-[but-3-en-2-yl(ethyl)amino]acetic acid
CID 62381772
2-[ethyl(2-methylprop-2-enyl)amino]acetic acid
CID 60712574
2-[ethyl-[(E)-(1-methoxy-1-oxopentan-3-ylidene)amino]amino]acetic acid
CID 143478140
ethane;2-[ethyl(propyl)amino]acetic acid
CID 143677754
2-[butyl(prop-2-enyl)amino]acetic acid
CID 79277573
2-[bis(carboxymethyl)amino]acetic acid
CID 22440005
2-[bis(carboxymethyl)amino]acetic acid;N,N-dimethylmethanamine
CID 88838366
2-[carboxymethyl(diethylsulfamoyl)amino]acetic acid
CID 3615000

Frequently Asked Questions

What is the IUPAC name of ethane;2-[ethyl-[(Z)-prop-2-enylideneamino]amino]acetic acid?
The IUPAC name of ethane;2-[ethyl-[(Z)-prop-2-enylideneamino]amino]acetic acid (CID 143604684) is ethane;2-[ethyl-[(Z)-prop-2-enylideneamino]amino]acetic acid.
What is the SMILES notation for ethane;2-[ethyl-[(Z)-prop-2-enylideneamino]amino]acetic acid?
The canonical SMILES for ethane;2-[ethyl-[(Z)-prop-2-enylideneamino]amino]acetic acid is C=C/C=N\N(CC)CC(=O)O.CC.
What is the InChIKey of ethane;2-[ethyl-[(Z)-prop-2-enylideneamino]amino]acetic acid?
The InChIKey is HJZKQYWWPUDLJG-HGKIGUAWSA-N. The full InChI is InChI=1S/C7H12N2O2.C2H6/c1-3-5-8-9(4-2)6-7(10)11;1-2/h3,5H,1,4,6H2,2H3,(H,10,11);1-2H3/b8-5-;.
What are the key properties of ethane;2-[ethyl-[(Z)-prop-2-enylideneamino]amino]acetic acid?
ethane;2-[ethyl-[(Z)-prop-2-enylideneamino]amino]acetic acid has a molecular weight of 186.25 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[ethyl-[(Z)-prop-2-enylideneamino]amino]acetic acid is sourced from PubChem (CID 143604684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).