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

C18H25NO5 — CID 119364558

IUPAC(2R)-4-methyl-2-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)c1ccc(OCC2CCCO2)cc1)C(=O)O
InChIInChI=1S/C18H25NO5/c1-12(2)10-16(18(21)22)19-17(20)13-5-7-14(8-6-13)24-11-15-4-3-9-23-15/h5-8,12,15-16H,3-4,9-11H2,1-2H3,(H,19,20)(H,21,22)/t15?,16-/m1/s1
InChIKeyIYIHAVUZEACEMH-OEMAIJDKSA-N
MW335.40 g/mol
LogP2.47
Rot. Bonds8

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

(2R)-4-methyl-2-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]pentanoic acid (PubChem CID 119364558) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is (2R)-4-methyl-2-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]pentanoic acid
PubChem CID119364558
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Name(2R)-4-methyl-2-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)c1ccc(OCC2CCCO2)cc1)C(=O)O
InChIInChI=1S/C18H25NO5/c1-12(2)10-16(18(21)22)19-17(20)13-5-7-14(8-6-13)24-11-15-4-3-9-23-15/h5-8,12,15-16H,3-4,9-11H2,1-2H3,(H,19,20)(H,21,22)/t15?,16-/m1/s1
InChIKeyIYIHAVUZEACEMH-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

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Related Compounds

(2R)-4-methyl-2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]pentanoic acid
CID 119364315
(2R)-4-methyl-2-[[2-[[(2S)-oxolan-2-yl]methoxy]benzoyl]amino]pentanoic acid
CID 125152132
4-[[(2R)-oxolan-2-yl]methoxy]-N-[(1R)-1-phenylpropyl]benzamide
CID 93234589
N'-benzoyl-4-[[(2R)-oxolan-2-yl]methoxy]benzohydrazide
CID 2093036
N'-[4-(oxolan-2-ylmethoxy)benzoyl]-4-phenylbenzohydrazide
CID 17222468
2-[methyl-[4-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid
CID 119209049
N-cycloheptyl-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2125237
2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid
CID 119225550
N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 40642293
N-[1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 55861969
N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-4-phenylbenzamide
CID 9294955
N-[furan-2-yl(phenyl)methyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 134029356

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]pentanoic acid (CID 119364558) is (2R)-4-methyl-2-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]pentanoic acid is CC(C)C[C@@H](NC(=O)c1ccc(OCC2CCCO2)cc1)C(=O)O.
What is the InChIKey of (2R)-4-methyl-2-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]pentanoic acid?
The InChIKey is IYIHAVUZEACEMH-OEMAIJDKSA-N. The full InChI is InChI=1S/C18H25NO5/c1-12(2)10-16(18(21)22)19-17(20)13-5-7-14(8-6-13)24-11-15-4-3-9-23-15/h5-8,12,15-16H,3-4,9-11H2,1-2H3,(H,19,20)(H,21,22)/t15?,16-/m1/s1.
What are the key properties of (2R)-4-methyl-2-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]pentanoic acid?
(2R)-4-methyl-2-[[4-(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-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]pentanoic acid is sourced from PubChem (CID 119364558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).