lithium 3-[[4-(2-methylpropoxy)benzoyl]amino]propanoate

C14H18LiNO4 — CID 23705726

IUPAClithium 3-[[4-(2-methylpropoxy)benzoyl]amino]propanoate
SMILESCC(C)COc1ccc(C(=O)NCCC(=O)[O-])cc1.[Li+]
InChIInChI=1S/C14H19NO4.Li/c1-10(2)9-19-12-5-3-11(4-6-12)14(18)15-8-7-13(16)17;/h3-6,10H,7-9H2,1-2H3,(H,15,18)(H,16,17);/q;+1/p-1
InChIKeyVZGOQUWLWGPIES-UHFFFAOYSA-M
MW271.24 g/mol
LogP-2.40
Rot. Bonds7

About lithium 3-[[4-(2-methylpropoxy)benzoyl]amino]propanoate

lithium 3-[[4-(2-methylpropoxy)benzoyl]amino]propanoate (PubChem CID 23705726) has the molecular formula C14H18LiNO4 and a molecular weight of 271.24 g/mol. Its IUPAC name is lithium 3-[[4-(2-methylpropoxy)benzoyl]amino]propanoate.

Molecular Properties

Compound Namelithium 3-[[4-(2-methylpropoxy)benzoyl]amino]propanoate
PubChem CID23705726
Molecular FormulaC14H18LiNO4
Molecular Weight271.24 g/mol
Exact Mass271.14
IUPAC Namelithium 3-[[4-(2-methylpropoxy)benzoyl]amino]propanoate
SMILESCC(C)COc1ccc(C(=O)NCCC(=O)[O-])cc1.[Li+]
InChIInChI=1S/C14H19NO4.Li/c1-10(2)9-19-12-5-3-11(4-6-12)14(18)15-8-7-13(16)17;/h3-6,10H,7-9H2,1-2H3,(H,15,18)(H,16,17);/q;+1/p-1
InChIKeyVZGOQUWLWGPIES-UHFFFAOYSA-M
XLogP-2.40
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 5-2.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methylpropoxy)-N-[3-[[4-(2-methylpropoxy)benzoyl]amino]propyl]benzamide
CID 4938333
4-(2-methylpropoxy)-N-[8-[[4-(2-methylpropoxy)benzoyl]amino]octyl]benzamide
CID 17233376
4-(2-methylpropoxy)-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4937273
4-(2-methylpropoxy)-N-[2-(4-nitroanilino)ethyl]benzamide
CID 9308633
N-(3-hydroxy-2-methylpropyl)-4-(2-methylpropoxy)benzamide
CID 65032098
N-ethyl-4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 17234354
4-(2-methylpropoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 43911075
4-(2-methylpropoxy)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide
CID 7379816
N'-[4-(2-methylpropoxy)benzoyl]-4-propan-2-ylbenzohydrazide
CID 17177578
N-[(2S)-butan-2-yl]-4-(2-methylpropoxy)benzamide
CID 41370977
4-tert-butyl-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4930158
ethyl 2-[[4-(2-methylpropoxy)benzoyl]amino]propanoate
CID 61343512

Frequently Asked Questions

What is the IUPAC name of lithium 3-[[4-(2-methylpropoxy)benzoyl]amino]propanoate?
The IUPAC name of lithium 3-[[4-(2-methylpropoxy)benzoyl]amino]propanoate (CID 23705726) is lithium 3-[[4-(2-methylpropoxy)benzoyl]amino]propanoate.
What is the SMILES notation for lithium 3-[[4-(2-methylpropoxy)benzoyl]amino]propanoate?
The canonical SMILES for lithium 3-[[4-(2-methylpropoxy)benzoyl]amino]propanoate is CC(C)COc1ccc(C(=O)NCCC(=O)[O-])cc1.[Li+].
What is the InChIKey of lithium 3-[[4-(2-methylpropoxy)benzoyl]amino]propanoate?
The InChIKey is VZGOQUWLWGPIES-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H19NO4.Li/c1-10(2)9-19-12-5-3-11(4-6-12)14(18)15-8-7-13(16)17;/h3-6,10H,7-9H2,1-2H3,(H,15,18)(H,16,17);/q;+1/p-1.
What are the key properties of lithium 3-[[4-(2-methylpropoxy)benzoyl]amino]propanoate?
lithium 3-[[4-(2-methylpropoxy)benzoyl]amino]propanoate has a molecular weight of 271.24 g/mol, XLogP of -2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 3-[[4-(2-methylpropoxy)benzoyl]amino]propanoate is sourced from PubChem (CID 23705726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).