methyl (3R)-3-amino-4-[(2-methoxybenzoyl)amino]butanoate

C13H18N2O4 — CID 70338940

IUPACmethyl (3R)-3-amino-4-[(2-methoxybenzoyl)amino]butanoate
SMILESCOC(=O)C[C@@H](N)CNC(=O)c1ccccc1OC
InChIInChI=1S/C13H18N2O4/c1-18-11-6-4-3-5-10(11)13(17)15-8-9(14)7-12(16)19-2/h3-6,9H,7-8,14H2,1-2H3,(H,15,17)/t9-/m1/s1
InChIKeyDQWRMFWXWGUAIZ-SECBINFHSA-N
MW266.30 g/mol
LogP0.32
Rot. Bonds6

About methyl (3R)-3-amino-4-[(2-methoxybenzoyl)amino]butanoate

methyl (3R)-3-amino-4-[(2-methoxybenzoyl)amino]butanoate (PubChem CID 70338940) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl (3R)-3-amino-4-[(2-methoxybenzoyl)amino]butanoate.

Molecular Properties

Compound Namemethyl (3R)-3-amino-4-[(2-methoxybenzoyl)amino]butanoate
PubChem CID70338940
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Namemethyl (3R)-3-amino-4-[(2-methoxybenzoyl)amino]butanoate
SMILESCOC(=O)C[C@@H](N)CNC(=O)c1ccccc1OC
InChIInChI=1S/C13H18N2O4/c1-18-11-6-4-3-5-10(11)13(17)15-8-9(14)7-12(16)19-2/h3-6,9H,7-8,14H2,1-2H3,(H,15,17)/t9-/m1/s1
InChIKeyDQWRMFWXWGUAIZ-SECBINFHSA-N
XLogP0.32
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[2-(methylamino)propyl]benzamide
CID 103512789
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-methoxybenzamide;hydrochloride
CID 52985226
methyl (3R)-3-amino-4-[(4-methoxybenzoyl)amino]butanoate
CID 70338276
2-methoxybenzohydrazide
CID 24051
N-[(2R)-2-(ethylamino)propyl]-2-methoxybenzamide
CID 120650635
2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103723044
N-(2-amino-4-methylpentyl)-2,3-dimethoxybenzamide
CID 107158720
2-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzamide
CID 90598704
2,6-dimethoxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538022
2-hydroxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538036
methyl (3S)-3-(4-chlorophenyl)-3-[(2-methoxybenzoyl)amino]propanoate
CID 40813309
N-(2-amino-4-methylpentyl)-2-(difluoromethoxy)benzamide
CID 107158740

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-amino-4-[(2-methoxybenzoyl)amino]butanoate?
The IUPAC name of methyl (3R)-3-amino-4-[(2-methoxybenzoyl)amino]butanoate (CID 70338940) is methyl (3R)-3-amino-4-[(2-methoxybenzoyl)amino]butanoate.
What is the SMILES notation for methyl (3R)-3-amino-4-[(2-methoxybenzoyl)amino]butanoate?
The canonical SMILES for methyl (3R)-3-amino-4-[(2-methoxybenzoyl)amino]butanoate is COC(=O)C[C@@H](N)CNC(=O)c1ccccc1OC.
What is the InChIKey of methyl (3R)-3-amino-4-[(2-methoxybenzoyl)amino]butanoate?
The InChIKey is DQWRMFWXWGUAIZ-SECBINFHSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-18-11-6-4-3-5-10(11)13(17)15-8-9(14)7-12(16)19-2/h3-6,9H,7-8,14H2,1-2H3,(H,15,17)/t9-/m1/s1.
What are the key properties of methyl (3R)-3-amino-4-[(2-methoxybenzoyl)amino]butanoate?
methyl (3R)-3-amino-4-[(2-methoxybenzoyl)amino]butanoate has a molecular weight of 266.30 g/mol, XLogP of 0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-amino-4-[(2-methoxybenzoyl)amino]butanoate is sourced from PubChem (CID 70338940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).