azane;3-(ethylamino)-2-methylprop-2-enoic acid

C6H14N2O2 — CID 118554953

IUPACazane;3-(ethylamino)-2-methylprop-2-enoic acid
SMILESCCNC=C(C)C(=O)O.N
InChIInChI=1S/C6H11NO2.H3N/c1-3-7-4-5(2)6(8)9;/h4,7H,3H2,1-2H3,(H,8,9);1H3
InChIKeyYEUHRVDWIHCZMQ-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.75
Rot. Bonds3

About azane;3-(ethylamino)-2-methylprop-2-enoic acid

azane;3-(ethylamino)-2-methylprop-2-enoic acid (PubChem CID 118554953) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is azane;3-(ethylamino)-2-methylprop-2-enoic acid.

Molecular Properties

Compound Nameazane;3-(ethylamino)-2-methylprop-2-enoic acid
PubChem CID118554953
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Nameazane;3-(ethylamino)-2-methylprop-2-enoic acid
SMILESCCNC=C(C)C(=O)O.N
InChIInChI=1S/C6H11NO2.H3N/c1-3-7-4-5(2)6(8)9;/h4,7H,3H2,1-2H3,(H,8,9);1H3
InChIKeyYEUHRVDWIHCZMQ-UHFFFAOYSA-N
XLogP0.75
TPSA84.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-4-(ethylamino)-3-methylbut-3-en-2-one
CID 45085246
(E)-3-(hexylamino)-2-methylprop-2-enoic acid
CID 87504773
2-methyl-3-(3-methylpentan-3-ylamino)prop-2-enoic acid
CID 90284740
CID 158703292
CID 158703292
5,5-bis(ethylamino)-2-methylpent-2-enoic acid
CID 91263561
(E)-2-methyl-4-(methylamino)but-2-enoic acid
CID 87093602
3-(ethylamino)prop-2-enoic acid
CID 87091440
acetic acid;azane;propane
CID 173127482
(2E,4E)-4-ethyl-2-methylhepta-2,4-dienoic acid
CID 11309745
diethyl 2-(ethylaminomethylidene)propanedioate
CID 13197984
4-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-methylbut-2-enoic acid
CID 77074530
(Z)-N-ethyl-N',2-dimethylprop-1-ene-1,3-diamine
CID 163865379

Frequently Asked Questions

What is the IUPAC name of azane;3-(ethylamino)-2-methylprop-2-enoic acid?
The IUPAC name of azane;3-(ethylamino)-2-methylprop-2-enoic acid (CID 118554953) is azane;3-(ethylamino)-2-methylprop-2-enoic acid.
What is the SMILES notation for azane;3-(ethylamino)-2-methylprop-2-enoic acid?
The canonical SMILES for azane;3-(ethylamino)-2-methylprop-2-enoic acid is CCNC=C(C)C(=O)O.N.
What is the InChIKey of azane;3-(ethylamino)-2-methylprop-2-enoic acid?
The InChIKey is YEUHRVDWIHCZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.H3N/c1-3-7-4-5(2)6(8)9;/h4,7H,3H2,1-2H3,(H,8,9);1H3.
What are the key properties of azane;3-(ethylamino)-2-methylprop-2-enoic acid?
azane;3-(ethylamino)-2-methylprop-2-enoic acid has a molecular weight of 146.19 g/mol, XLogP of 0.75, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3-(ethylamino)-2-methylprop-2-enoic acid is sourced from PubChem (CID 118554953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).