3-[2-chloroprop-2-enyl(ethyl)amino]propanoic acid

C8H14ClNO2 — CID 61010344

IUPAC3-[2-chloroprop-2-enyl(ethyl)amino]propanoic acid
SMILESC=C(Cl)CN(CC)CCC(=O)O
InChIInChI=1S/C8H14ClNO2/c1-3-10(6-7(2)9)5-4-8(11)12/h2-6H2,1H3,(H,11,12)
InChIKeyIOSQWOVRFYJOEN-UHFFFAOYSA-N
MW191.66 g/mol
LogP1.54
Rot. Bonds6

About 3-[2-chloroprop-2-enyl(ethyl)amino]propanoic acid

3-[2-chloroprop-2-enyl(ethyl)amino]propanoic acid (PubChem CID 61010344) has the molecular formula C8H14ClNO2 and a molecular weight of 191.66 g/mol. Its IUPAC name is 3-[2-chloroprop-2-enyl(ethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[2-chloroprop-2-enyl(ethyl)amino]propanoic acid
PubChem CID61010344
Molecular FormulaC8H14ClNO2
Molecular Weight191.66 g/mol
Exact Mass191.07
IUPAC Name3-[2-chloroprop-2-enyl(ethyl)amino]propanoic acid
SMILESC=C(Cl)CN(CC)CCC(=O)O
InChIInChI=1S/C8H14ClNO2/c1-3-10(6-7(2)9)5-4-8(11)12/h2-6H2,1H3,(H,11,12)
InChIKeyIOSQWOVRFYJOEN-UHFFFAOYSA-N
XLogP1.54
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[Ethyl(prop-2-enyl)amino]propanoic acid
CID 61010341
3-[Prop-2-enyl(propyl)amino]propanoic acid
CID 68545980
3-[Methyl(prop-2-enyl)amino]propanoic acid;hydrochloride
CID 137318667
3-[Ethyl(2-methylprop-2-enyl)amino]propanoic acid
CID 60647766
3-[2-Chloroprop-2-enyl(propan-2-yl)amino]propanoic acid
CID 60833773
3-[Tert-butyl(2-chloroprop-2-enyl)amino]propanoic acid
CID 60834639
3-[2-Chloroprop-2-enyl(cyclopropyl)amino]propanoic acid
CID 60839207
3-[Methyl(2-methylprop-2-enyl)amino]propanoic acid
CID 60988194
3-[2-Chloroprop-2-enyl(methyl)amino]propanoic acid
CID 60988316
3-[[(E)-3-chloroprop-2-enyl]-ethylamino]propanoic acid
CID 61010350
3-[2-Chloroprop-2-enyl(methyl)amino]-2-methylpropanoic acid
CID 61599790
4-[2-Chloroprop-2-enyl(methyl)amino]butanoic acid
CID 61601727

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloroprop-2-enyl(ethyl)amino]propanoic acid?
The IUPAC name of 3-[2-chloroprop-2-enyl(ethyl)amino]propanoic acid (CID 61010344) is 3-[2-chloroprop-2-enyl(ethyl)amino]propanoic acid.
What is the SMILES notation for 3-[2-chloroprop-2-enyl(ethyl)amino]propanoic acid?
The canonical SMILES for 3-[2-chloroprop-2-enyl(ethyl)amino]propanoic acid is C=C(Cl)CN(CC)CCC(=O)O.
What is the InChIKey of 3-[2-chloroprop-2-enyl(ethyl)amino]propanoic acid?
The InChIKey is IOSQWOVRFYJOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNO2/c1-3-10(6-7(2)9)5-4-8(11)12/h2-6H2,1H3,(H,11,12).
What are the key properties of 3-[2-chloroprop-2-enyl(ethyl)amino]propanoic acid?
3-[2-chloroprop-2-enyl(ethyl)amino]propanoic acid has a molecular weight of 191.66 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloroprop-2-enyl(ethyl)amino]propanoic acid is sourced from PubChem (CID 61010344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).