ethyl 3-[(2-amino-3-methoxypropanoyl)amino]-2-phenylpropanoate

C15H22N2O4 — CID 120990918

IUPACethyl 3-[(2-amino-3-methoxypropanoyl)amino]-2-phenylpropanoate
SMILESCCOC(=O)C(CNC(=O)C(N)COC)c1ccccc1
InChIInChI=1S/C15H22N2O4/c1-3-21-15(19)12(11-7-5-4-6-8-11)9-17-14(18)13(16)10-20-2/h4-8,12-13H,3,9-10,16H2,1-2H3,(H,17,18)
InChIKeyAHHLBKCFIACOJN-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.42
Rot. Bonds8

About ethyl 3-[(2-amino-3-methoxypropanoyl)amino]-2-phenylpropanoate

ethyl 3-[(2-amino-3-methoxypropanoyl)amino]-2-phenylpropanoate (PubChem CID 120990918) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is ethyl 3-[(2-amino-3-methoxypropanoyl)amino]-2-phenylpropanoate.

Molecular Properties

Compound Nameethyl 3-[(2-amino-3-methoxypropanoyl)amino]-2-phenylpropanoate
PubChem CID120990918
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Nameethyl 3-[(2-amino-3-methoxypropanoyl)amino]-2-phenylpropanoate
SMILESCCOC(=O)C(CNC(=O)C(N)COC)c1ccccc1
InChIInChI=1S/C15H22N2O4/c1-3-21-15(19)12(11-7-5-4-6-8-11)9-17-14(18)13(16)10-20-2/h4-8,12-13H,3,9-10,16H2,1-2H3,(H,17,18)
InChIKeyAHHLBKCFIACOJN-UHFFFAOYSA-N
XLogP0.42
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-phenylpropanoate
CID 119805478
2-amino-3-methoxy-N-(2-phenylpropyl)propanamide
CID 81089279
methyl 3-[(2-amino-3-methoxypropanoyl)amino]-2-(4-methylphenyl)propanoate
CID 120989334
2-amino-3-methoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
CID 81071617
3-[[(2S)-2-aminohexanoyl]amino]-2-phenylpropanoic acid
CID 107145420
(2S)-2-amino-N-(2-phenylpropyl)butanamide;hydrochloride
CID 119270188
2-[2-[[(2-amino-3-methoxypropanoyl)amino]methyl]phenyl]acetic acid
CID 81317772
2-amino-3-methoxy-N-(2-phenoxyethyl)propanamide
CID 81089075
(2S)-2-amino-N-(2-methoxy-2-phenylethyl)-4-methylpentanamide;hydrochloride
CID 119703944
2-amino-N-(2-methoxy-2-phenylethyl)pentanamide
CID 119278905
(2R)-2-amino-N-(3-methoxy-2-methylpropyl)-3-phenylpropanamide
CID 78985598
ethyl (2S)-3-amino-2-phenylpropanoate
CID 848661

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2-amino-3-methoxypropanoyl)amino]-2-phenylpropanoate?
The IUPAC name of ethyl 3-[(2-amino-3-methoxypropanoyl)amino]-2-phenylpropanoate (CID 120990918) is ethyl 3-[(2-amino-3-methoxypropanoyl)amino]-2-phenylpropanoate.
What is the SMILES notation for ethyl 3-[(2-amino-3-methoxypropanoyl)amino]-2-phenylpropanoate?
The canonical SMILES for ethyl 3-[(2-amino-3-methoxypropanoyl)amino]-2-phenylpropanoate is CCOC(=O)C(CNC(=O)C(N)COC)c1ccccc1.
What is the InChIKey of ethyl 3-[(2-amino-3-methoxypropanoyl)amino]-2-phenylpropanoate?
The InChIKey is AHHLBKCFIACOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-3-21-15(19)12(11-7-5-4-6-8-11)9-17-14(18)13(16)10-20-2/h4-8,12-13H,3,9-10,16H2,1-2H3,(H,17,18).
What are the key properties of ethyl 3-[(2-amino-3-methoxypropanoyl)amino]-2-phenylpropanoate?
ethyl 3-[(2-amino-3-methoxypropanoyl)amino]-2-phenylpropanoate has a molecular weight of 294.35 g/mol, XLogP of 0.42, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2-amino-3-methoxypropanoyl)amino]-2-phenylpropanoate is sourced from PubChem (CID 120990918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).