(2R)-4-methyl-2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]pentanoic acid

C18H25NO5 — CID 119364315

IUPAC(2R)-4-methyl-2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)c1cccc(OCC2CCCO2)c1)C(=O)O
InChIInChI=1S/C18H25NO5/c1-12(2)9-16(18(21)22)19-17(20)13-5-3-6-14(10-13)24-11-15-7-4-8-23-15/h3,5-6,10,12,15-16H,4,7-9,11H2,1-2H3,(H,19,20)(H,21,22)/t15?,16-/m1/s1
InChIKeyQVBFBLMREVHOOS-OEMAIJDKSA-N
MW335.40 g/mol
LogP2.47
Rot. Bonds8

About (2R)-4-methyl-2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]pentanoic acid

(2R)-4-methyl-2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]pentanoic acid (PubChem CID 119364315) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is (2R)-4-methyl-2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]pentanoic acid
PubChem CID119364315
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Name(2R)-4-methyl-2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)c1cccc(OCC2CCCO2)c1)C(=O)O
InChIInChI=1S/C18H25NO5/c1-12(2)9-16(18(21)22)19-17(20)13-5-3-6-14(10-13)24-11-15-7-4-8-23-15/h3,5-6,10,12,15-16H,4,7-9,11H2,1-2H3,(H,19,20)(H,21,22)/t15?,16-/m1/s1
InChIKeyQVBFBLMREVHOOS-OEMAIJDKSA-N
XLogP2.47
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-4-methyl-2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]pentanoic 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

2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid
CID 119225550
(2R)-4-methyl-2-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]pentanoic acid
CID 119364558
2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]-3-phenylpropanoic acid
CID 119165878
2-methyl-3-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid
CID 119237324
(2R)-4-methyl-2-[[2-[[(2S)-oxolan-2-yl]methoxy]benzoyl]amino]pentanoic acid
CID 125152132
N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 134023713
N-[2-(methylamino)propyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 120827818
3-(2-methylpropoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17140356
1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone
CID 24697722
N-[1-(4-methylphenyl)propyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 46420066
3-[[(2S)-oxolan-2-yl]methoxy]-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide
CID 38615399
propan-2-yl 4-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate
CID 24633199

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]pentanoic acid (CID 119364315) is (2R)-4-methyl-2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]pentanoic acid is CC(C)C[C@@H](NC(=O)c1cccc(OCC2CCCO2)c1)C(=O)O.
What is the InChIKey of (2R)-4-methyl-2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]pentanoic acid?
The InChIKey is QVBFBLMREVHOOS-OEMAIJDKSA-N. The full InChI is InChI=1S/C18H25NO5/c1-12(2)9-16(18(21)22)19-17(20)13-5-3-6-14(10-13)24-11-15-7-4-8-23-15/h3,5-6,10,12,15-16H,4,7-9,11H2,1-2H3,(H,19,20)(H,21,22)/t15?,16-/m1/s1.
What are the key properties of (2R)-4-methyl-2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]pentanoic acid?
(2R)-4-methyl-2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]pentanoic acid has a molecular weight of 335.40 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]pentanoic acid is sourced from PubChem (CID 119364315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).