methyl 2-[[4-(methoxymethyl)benzoyl]amino]-3-methylbutanoate

C15H21NO4 — CID 43405155

IUPACmethyl 2-[[4-(methoxymethyl)benzoyl]amino]-3-methylbutanoate
SMILESCOCc1ccc(C(=O)NC(C(=O)OC)C(C)C)cc1
InChIInChI=1S/C15H21NO4/c1-10(2)13(15(18)20-4)16-14(17)12-7-5-11(6-8-12)9-19-3/h5-8,10,13H,9H2,1-4H3,(H,16,17)
InChIKeyCEAOVMTXTRQJRF-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.76
Rot. Bonds6

About methyl 2-[[4-(methoxymethyl)benzoyl]amino]-3-methylbutanoate

methyl 2-[[4-(methoxymethyl)benzoyl]amino]-3-methylbutanoate (PubChem CID 43405155) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 2-[[4-(methoxymethyl)benzoyl]amino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-[[4-(methoxymethyl)benzoyl]amino]-3-methylbutanoate
PubChem CID43405155
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namemethyl 2-[[4-(methoxymethyl)benzoyl]amino]-3-methylbutanoate
SMILESCOCc1ccc(C(=O)NC(C(=O)OC)C(C)C)cc1
InChIInChI=1S/C15H21NO4/c1-10(2)13(15(18)20-4)16-14(17)12-7-5-11(6-8-12)9-19-3/h5-8,10,13H,9H2,1-4H3,(H,16,17)
InChIKeyCEAOVMTXTRQJRF-UHFFFAOYSA-N
XLogP1.76
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-2-[[4-(methoxymethyl)benzoyl]amino]butanoic acid
CID 43238754
methyl 4-[[(2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoyl]oxymethyl]benzoate
CID 7568295
benzyl (2S)-2-benzamido-3-methylbutanoate
CID 689908
methyl 2-[(3,5-dihydroxybenzoyl)amino]-3-methylbutanoate
CID 113347317
benzyl 3-methyl-2-[(4-methylbenzoyl)amino]butanoate
CID 6711148
(4-fluorophenyl)methyl (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate
CID 7564642
methyl (2S)-2-[[(2R)-2-benzamido-3-methylbutanoyl]amino]-3-methylbutanoate
CID 2208900
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-4-(methoxymethyl)benzamide
CID 8751184
N-(1-hydroxy-4-methylpentan-2-yl)-4-(methoxymethyl)benzamide
CID 61245639
N-[4-(dimethylamino)butan-2-yl]-4-(methoxymethyl)benzamide
CID 60600720
methyl 2-[(3-amino-4-ethoxybenzoyl)amino]-3-methylbutanoate
CID 61095584
benzyl (2S)-2-[(4-bromobenzoyl)amino]-3-methylbutanoate
CID 8879997

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(methoxymethyl)benzoyl]amino]-3-methylbutanoate?
The IUPAC name of methyl 2-[[4-(methoxymethyl)benzoyl]amino]-3-methylbutanoate (CID 43405155) is methyl 2-[[4-(methoxymethyl)benzoyl]amino]-3-methylbutanoate.
What is the SMILES notation for methyl 2-[[4-(methoxymethyl)benzoyl]amino]-3-methylbutanoate?
The canonical SMILES for methyl 2-[[4-(methoxymethyl)benzoyl]amino]-3-methylbutanoate is COCc1ccc(C(=O)NC(C(=O)OC)C(C)C)cc1.
What is the InChIKey of methyl 2-[[4-(methoxymethyl)benzoyl]amino]-3-methylbutanoate?
The InChIKey is CEAOVMTXTRQJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-10(2)13(15(18)20-4)16-14(17)12-7-5-11(6-8-12)9-19-3/h5-8,10,13H,9H2,1-4H3,(H,16,17).
What are the key properties of methyl 2-[[4-(methoxymethyl)benzoyl]amino]-3-methylbutanoate?
methyl 2-[[4-(methoxymethyl)benzoyl]amino]-3-methylbutanoate has a molecular weight of 279.34 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(methoxymethyl)benzoyl]amino]-3-methylbutanoate is sourced from PubChem (CID 43405155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).