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

C13H18N2O4 — CID 70338276

IUPACmethyl (3R)-3-amino-4-[(4-methoxybenzoyl)amino]butanoate
SMILESCOC(=O)C[C@@H](N)CNC(=O)c1ccc(OC)cc1
InChIInChI=1S/C13H18N2O4/c1-18-11-5-3-9(4-6-11)13(17)15-8-10(14)7-12(16)19-2/h3-6,10H,7-8,14H2,1-2H3,(H,15,17)/t10-/m1/s1
InChIKeyOUPLHZWUEQTCDI-SNVBAGLBSA-N
MW266.30 g/mol
LogP0.32
Rot. Bonds6

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

methyl (3R)-3-amino-4-[(4-methoxybenzoyl)amino]butanoate (PubChem CID 70338276) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl (3R)-3-amino-4-[(4-methoxybenzoyl)amino]butanoate.

Molecular Properties

Compound Namemethyl (3R)-3-amino-4-[(4-methoxybenzoyl)amino]butanoate
PubChem CID70338276
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Namemethyl (3R)-3-amino-4-[(4-methoxybenzoyl)amino]butanoate
SMILESCOC(=O)C[C@@H](N)CNC(=O)c1ccc(OC)cc1
InChIInChI=1S/C13H18N2O4/c1-18-11-5-3-9(4-6-11)13(17)15-8-10(14)7-12(16)19-2/h3-6,10H,7-8,14H2,1-2H3,(H,15,17)/t10-/m1/s1
InChIKeyOUPLHZWUEQTCDI-SNVBAGLBSA-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

N-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxybenzamide
CID 107260916
methyl (3R)-3-amino-4-[(2-methoxybenzoyl)amino]butanoate
CID 70338940
methyl (3S)-4-iodo-3-[(4-methoxybenzoyl)amino]butanoate
CID 25139376
3-[[(4-methoxybenzoyl)amino]methyl]pentanoic acid
CID 81066104
N-(2-chloro-4-methylpentyl)-4-methoxybenzamide
CID 107157339
methyl 3-[[4-(4-methoxyphenoxy)benzoyl]amino]propanoate
CID 46989444
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzamide
CID 110889479
N-(2-chloro-2-phenylethyl)-4-methoxybenzamide
CID 114296068
N-[(3-aminocyclobutyl)methyl]-4-methoxybenzamide
CID 66006456
N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide
CID 45001600
4-fluoro-N-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide
CID 38800266
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
CID 108537787

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-amino-4-[(4-methoxybenzoyl)amino]butanoate?
The IUPAC name of methyl (3R)-3-amino-4-[(4-methoxybenzoyl)amino]butanoate (CID 70338276) is methyl (3R)-3-amino-4-[(4-methoxybenzoyl)amino]butanoate.
What is the SMILES notation for methyl (3R)-3-amino-4-[(4-methoxybenzoyl)amino]butanoate?
The canonical SMILES for methyl (3R)-3-amino-4-[(4-methoxybenzoyl)amino]butanoate is COC(=O)C[C@@H](N)CNC(=O)c1ccc(OC)cc1.
What is the InChIKey of methyl (3R)-3-amino-4-[(4-methoxybenzoyl)amino]butanoate?
The InChIKey is OUPLHZWUEQTCDI-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-18-11-5-3-9(4-6-11)13(17)15-8-10(14)7-12(16)19-2/h3-6,10H,7-8,14H2,1-2H3,(H,15,17)/t10-/m1/s1.
What are the key properties of methyl (3R)-3-amino-4-[(4-methoxybenzoyl)amino]butanoate?
methyl (3R)-3-amino-4-[(4-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-[(4-methoxybenzoyl)amino]butanoate is sourced from PubChem (CID 70338276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).