(2-chlorophenyl)methyl 2-(prop-2-enylamino)acetate

C12H14ClNO2 — CID 79276973

IUPAC(2-chlorophenyl)methyl 2-(prop-2-enylamino)acetate
SMILESC=CCNCC(=O)OCc1ccccc1Cl
InChIInChI=1S/C12H14ClNO2/c1-2-7-14-8-12(15)16-9-10-5-3-4-6-11(10)13/h2-6,14H,1,7-9H2
InChIKeyYLQJJUBILVAAOZ-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.16
Rot. Bonds6

About (2-chlorophenyl)methyl 2-(prop-2-enylamino)acetate

(2-chlorophenyl)methyl 2-(prop-2-enylamino)acetate (PubChem CID 79276973) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is (2-chlorophenyl)methyl 2-(prop-2-enylamino)acetate.

Molecular Properties

Compound Name(2-chlorophenyl)methyl 2-(prop-2-enylamino)acetate
PubChem CID79276973
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name(2-chlorophenyl)methyl 2-(prop-2-enylamino)acetate
SMILESC=CCNCC(=O)OCc1ccccc1Cl
InChIInChI=1S/C12H14ClNO2/c1-2-7-14-8-12(15)16-9-10-5-3-4-6-11(10)13/h2-6,14H,1,7-9H2
InChIKeyYLQJJUBILVAAOZ-UHFFFAOYSA-N
XLogP2.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-chlorophenyl)methyl 2-(prop-2-ynylamino)acetate
CID 79274047
(2-chlorophenyl)methyl 2-aminoacetate
CID 54593146
N-(2-chlorophenyl)-2-(prop-2-enylamino)acetamide
CID 28563439
(2-chlorophenyl)methyl 2-[(2,5-dichlorophenyl)sulfonylamino]acetate
CID 1218599
(2-chlorophenyl)methyl (2S)-3-amino-2-hydroxypropanoate
CID 107837533
[2,3,4-tris[[2-(2-chlorophenyl)acetyl]oxymethyl]phenyl]methyl 2-(2-chlorophenyl)acetate
CID 141296631
2-[(2-chlorophenyl)methylsulfanyl]-N-prop-2-enylacetamide
CID 78786831
3-[(2-chlorophenyl)methoxy]-N-prop-2-enylbenzamide
CID 30155712
(2-chlorophenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7951719
2-thiophen-2-ylethyl 2-(prop-2-enylamino)acetate
CID 79275664
(2-chlorophenyl)methyl 4-amino-4-methylpentanoate
CID 62050226
methyl 2-[(2-chlorophenyl)methyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]acetate
CID 60565505

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl 2-(prop-2-enylamino)acetate?
The IUPAC name of (2-chlorophenyl)methyl 2-(prop-2-enylamino)acetate (CID 79276973) is (2-chlorophenyl)methyl 2-(prop-2-enylamino)acetate.
What is the SMILES notation for (2-chlorophenyl)methyl 2-(prop-2-enylamino)acetate?
The canonical SMILES for (2-chlorophenyl)methyl 2-(prop-2-enylamino)acetate is C=CCNCC(=O)OCc1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)methyl 2-(prop-2-enylamino)acetate?
The InChIKey is YLQJJUBILVAAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-2-7-14-8-12(15)16-9-10-5-3-4-6-11(10)13/h2-6,14H,1,7-9H2.
What are the key properties of (2-chlorophenyl)methyl 2-(prop-2-enylamino)acetate?
(2-chlorophenyl)methyl 2-(prop-2-enylamino)acetate has a molecular weight of 239.70 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl 2-(prop-2-enylamino)acetate is sourced from PubChem (CID 79276973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).