2-[methyl-[4-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid

C16H21NO5 — CID 119209049

IUPAC2-[methyl-[4-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C16H21NO5/c1-11(16(19)20)17(2)15(18)12-5-7-13(8-6-12)22-10-14-4-3-9-21-14/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,19,20)
InChIKeyQRINQTVRNVVFCM-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.79
Rot. Bonds6

About 2-[methyl-[4-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid

2-[methyl-[4-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid (PubChem CID 119209049) has the molecular formula C16H21NO5 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-[methyl-[4-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-[4-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid
PubChem CID119209049
Molecular FormulaC16H21NO5
Molecular Weight307.35 g/mol
Exact Mass307.14
IUPAC Name2-[methyl-[4-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C16H21NO5/c1-11(16(19)20)17(2)15(18)12-5-7-13(8-6-12)22-10-14-4-3-9-21-14/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,19,20)
InChIKeyQRINQTVRNVVFCM-UHFFFAOYSA-N
XLogP1.79
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[methyl-[4-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide
CID 86925767
1-[4-(oxolan-2-ylmethoxy)phenyl]propan-1-one
CID 24702536
N-(2-amino-2-oxoethyl)-4-(oxolan-2-ylmethoxy)-N-propan-2-ylbenzamide
CID 112794067
2-amino-3-[4-(oxolan-2-ylmethoxy)phenyl]propanoic acid
CID 54846765
4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2541314
4-[[ethyl-[4-(oxolan-2-ylmethoxy)benzoyl]amino]methyl]-N,N-dimethylbenzamide
CID 56512059
(2R)-4-methyl-2-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]pentanoic acid
CID 119364558
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 32729367
N-ethyl-N-(2-methylprop-2-enyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 78800219
(1S)-1-[4-(oxolan-2-ylmethoxy)phenyl]ethanol
CID 63364123
2-[methyl-[4-(oxan-4-yloxy)benzoyl]amino]propanoic acid
CID 119209529
N-[2-(cyclopropanecarbonylamino)ethyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 51153011

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[4-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid?
The IUPAC name of 2-[methyl-[4-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid (CID 119209049) is 2-[methyl-[4-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid.
What is the SMILES notation for 2-[methyl-[4-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid?
The canonical SMILES for 2-[methyl-[4-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid is CC(C(=O)O)N(C)C(=O)c1ccc(OCC2CCCO2)cc1.
What is the InChIKey of 2-[methyl-[4-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid?
The InChIKey is QRINQTVRNVVFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO5/c1-11(16(19)20)17(2)15(18)12-5-7-13(8-6-12)22-10-14-4-3-9-21-14/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,19,20).
What are the key properties of 2-[methyl-[4-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid?
2-[methyl-[4-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid has a molecular weight of 307.35 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[4-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid is sourced from PubChem (CID 119209049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).