methyl 3-[(2-amino-3-methoxypropanoyl)amino]-2-(4-methylphenyl)propanoate

C15H22N2O4 — CID 120989334

IUPACmethyl 3-[(2-amino-3-methoxypropanoyl)amino]-2-(4-methylphenyl)propanoate
SMILESCOCC(N)C(=O)NCC(C(=O)OC)c1ccc(C)cc1
InChIInChI=1S/C15H22N2O4/c1-10-4-6-11(7-5-10)12(15(19)21-3)8-17-14(18)13(16)9-20-2/h4-7,12-13H,8-9,16H2,1-3H3,(H,17,18)
InChIKeyYKACKVKMSPFLQZ-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.34
Rot. Bonds7

About methyl 3-[(2-amino-3-methoxypropanoyl)amino]-2-(4-methylphenyl)propanoate

methyl 3-[(2-amino-3-methoxypropanoyl)amino]-2-(4-methylphenyl)propanoate (PubChem CID 120989334) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is methyl 3-[(2-amino-3-methoxypropanoyl)amino]-2-(4-methylphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-[(2-amino-3-methoxypropanoyl)amino]-2-(4-methylphenyl)propanoate
PubChem CID120989334
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Namemethyl 3-[(2-amino-3-methoxypropanoyl)amino]-2-(4-methylphenyl)propanoate
SMILESCOCC(N)C(=O)NCC(C(=O)OC)c1ccc(C)cc1
InChIInChI=1S/C15H22N2O4/c1-10-4-6-11(7-5-10)12(15(19)21-3)8-17-14(18)13(16)9-20-2/h4-7,12-13H,8-9,16H2,1-3H3,(H,17,18)
InChIKeyYKACKVKMSPFLQZ-UHFFFAOYSA-N
XLogP0.34
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[(2-amino-3-methoxypropanoyl)amino]-2-phenylpropanoate
CID 120990918
2-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-3-methoxypropanamide;hydrochloride
CID 120991420
2-amino-N-[2-(4-chlorophenyl)-2-methoxyethyl]-3-methoxypropanamide
CID 120990898
2-amino-3-methoxy-N-(2-phenylpropyl)propanamide
CID 81089279
2-amino-3-methoxy-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]propanamide;hydrochloride
CID 120983892
2-amino-3-methoxy-N-[(2-methoxy-4-methylphenyl)methyl]propanamide
CID 120992441
2-amino-3-methoxy-N-(3-methoxy-2-methylpropyl)propanamide
CID 81089502
2-amino-N-(2,4-dimethylphenyl)-3-methoxypropanamide
CID 81082397
2-amino-N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methoxypropanamide
CID 120989475
2-amino-2-(4-methylphenyl)-N-[2-(4-methylphenyl)propyl]acetamide
CID 120668682
methyl 2-(4-methylphenyl)-3-methylsulfonylpropanoate
CID 117245155
methyl 3-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]-2-(4-methylphenyl)propanoate;hydrochloride
CID 120989335

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-amino-3-methoxypropanoyl)amino]-2-(4-methylphenyl)propanoate?
The IUPAC name of methyl 3-[(2-amino-3-methoxypropanoyl)amino]-2-(4-methylphenyl)propanoate (CID 120989334) is methyl 3-[(2-amino-3-methoxypropanoyl)amino]-2-(4-methylphenyl)propanoate.
What is the SMILES notation for methyl 3-[(2-amino-3-methoxypropanoyl)amino]-2-(4-methylphenyl)propanoate?
The canonical SMILES for methyl 3-[(2-amino-3-methoxypropanoyl)amino]-2-(4-methylphenyl)propanoate is COCC(N)C(=O)NCC(C(=O)OC)c1ccc(C)cc1.
What is the InChIKey of methyl 3-[(2-amino-3-methoxypropanoyl)amino]-2-(4-methylphenyl)propanoate?
The InChIKey is YKACKVKMSPFLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-10-4-6-11(7-5-10)12(15(19)21-3)8-17-14(18)13(16)9-20-2/h4-7,12-13H,8-9,16H2,1-3H3,(H,17,18).
What are the key properties of methyl 3-[(2-amino-3-methoxypropanoyl)amino]-2-(4-methylphenyl)propanoate?
methyl 3-[(2-amino-3-methoxypropanoyl)amino]-2-(4-methylphenyl)propanoate has a molecular weight of 294.35 g/mol, XLogP of 0.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-amino-3-methoxypropanoyl)amino]-2-(4-methylphenyl)propanoate is sourced from PubChem (CID 120989334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).