ethyl 2-[2-[(2-aminoacetyl)amino]phenyl]propanoate

C13H18N2O3 — CID 54217983

IUPACethyl 2-[2-[(2-aminoacetyl)amino]phenyl]propanoate
SMILESCCOC(=O)C(C)c1ccccc1NC(=O)CN
InChIInChI=1S/C13H18N2O3/c1-3-18-13(17)9(2)10-6-4-5-7-11(10)15-12(16)8-14/h4-7,9H,3,8,14H2,1-2H3,(H,15,16)
InChIKeyQANKIUQXNDGQFO-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.25
Rot. Bonds5

About ethyl 2-[2-[(2-aminoacetyl)amino]phenyl]propanoate

ethyl 2-[2-[(2-aminoacetyl)amino]phenyl]propanoate (PubChem CID 54217983) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is ethyl 2-[2-[(2-aminoacetyl)amino]phenyl]propanoate.

Molecular Properties

Compound Nameethyl 2-[2-[(2-aminoacetyl)amino]phenyl]propanoate
PubChem CID54217983
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Nameethyl 2-[2-[(2-aminoacetyl)amino]phenyl]propanoate
SMILESCCOC(=O)C(C)c1ccccc1NC(=O)CN
InChIInChI=1S/C13H18N2O3/c1-3-18-13(17)9(2)10-6-4-5-7-11(10)15-12(16)8-14/h4-7,9H,3,8,14H2,1-2H3,(H,15,16)
InChIKeyQANKIUQXNDGQFO-UHFFFAOYSA-N
XLogP1.25
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2-ethylphenyl)propanoate
CID 105459112
ethyl (2R)-2-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]phenyl]propanoate
CID 67722404
ethyl (2S)-2-(2-methoxyphenyl)propanoate
CID 129388209
methyl 2-(2-acetamidophenyl)propanoate
CID 15064955
N-(2-propan-2-ylphenyl)propanamide
CID 723442
N-[2-(1-hydroxyethyl)phenyl]butanamide
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3-amino-N-(2-propan-2-ylphenyl)propanamide;hydrochloride
CID 71828995
N-(2-propan-2-ylphenyl)-2-(propylamino)acetamide
CID 54818713
ethyl 4-[[3-oxo-3-(2-propan-2-ylanilino)propanoyl]amino]benzoate
CID 108954315
ethyl 2-(2-butan-2-ylanilino)-2-oxoacetate
CID 3687050
2-amino-N-[2-(2-methylanilino)-2-oxoethyl]acetamide
CID 60848997
4-amino-N-(2-propan-2-ylphenyl)pentanamide;hydrochloride
CID 120558713

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(2-aminoacetyl)amino]phenyl]propanoate?
The IUPAC name of ethyl 2-[2-[(2-aminoacetyl)amino]phenyl]propanoate (CID 54217983) is ethyl 2-[2-[(2-aminoacetyl)amino]phenyl]propanoate.
What is the SMILES notation for ethyl 2-[2-[(2-aminoacetyl)amino]phenyl]propanoate?
The canonical SMILES for ethyl 2-[2-[(2-aminoacetyl)amino]phenyl]propanoate is CCOC(=O)C(C)c1ccccc1NC(=O)CN.
What is the InChIKey of ethyl 2-[2-[(2-aminoacetyl)amino]phenyl]propanoate?
The InChIKey is QANKIUQXNDGQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-3-18-13(17)9(2)10-6-4-5-7-11(10)15-12(16)8-14/h4-7,9H,3,8,14H2,1-2H3,(H,15,16).
What are the key properties of ethyl 2-[2-[(2-aminoacetyl)amino]phenyl]propanoate?
ethyl 2-[2-[(2-aminoacetyl)amino]phenyl]propanoate has a molecular weight of 250.30 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(2-aminoacetyl)amino]phenyl]propanoate is sourced from PubChem (CID 54217983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).