(2R)-4-methyl-2-[[2-[[(2S)-oxolan-2-yl]methoxy]benzoyl]amino]pentanoic acid

C18H25NO5 — CID 125152132

IUPAC(2R)-4-methyl-2-[[2-[[(2S)-oxolan-2-yl]methoxy]benzoyl]amino]pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)c1ccccc1OC[C@@H]1CCCO1)C(=O)O
InChIInChI=1S/C18H25NO5/c1-12(2)10-15(18(21)22)19-17(20)14-7-3-4-8-16(14)24-11-13-6-5-9-23-13/h3-4,7-8,12-13,15H,5-6,9-11H2,1-2H3,(H,19,20)(H,21,22)/t13-,15+/m0/s1
InChIKeyNCZQSHWUXNGKRW-DZGCQCFKSA-N
MW335.40 g/mol
LogP2.47
Rot. Bonds8

About (2R)-4-methyl-2-[[2-[[(2S)-oxolan-2-yl]methoxy]benzoyl]amino]pentanoic acid

(2R)-4-methyl-2-[[2-[[(2S)-oxolan-2-yl]methoxy]benzoyl]amino]pentanoic acid (PubChem CID 125152132) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is (2R)-4-methyl-2-[[2-[[(2S)-oxolan-2-yl]methoxy]benzoyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-[[2-[[(2S)-oxolan-2-yl]methoxy]benzoyl]amino]pentanoic acid
PubChem CID125152132
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Name(2R)-4-methyl-2-[[2-[[(2S)-oxolan-2-yl]methoxy]benzoyl]amino]pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)c1ccccc1OC[C@@H]1CCCO1)C(=O)O
InChIInChI=1S/C18H25NO5/c1-12(2)10-15(18(21)22)19-17(20)14-7-3-4-8-16(14)24-11-13-6-5-9-23-13/h3-4,7-8,12-13,15H,5-6,9-11H2,1-2H3,(H,19,20)(H,21,22)/t13-,15+/m0/s1
InChIKeyNCZQSHWUXNGKRW-DZGCQCFKSA-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-[[2-[[(2S)-oxolan-2-yl]methoxy]benzoyl]amino]pentanoic acid with MolForge

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Related Compounds

(2R)-4-methyl-2-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]pentanoic acid
CID 119364558
(2R)-4-methyl-2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]pentanoic acid
CID 119364315
N-[4-(2-methylpropanoylamino)phenyl]-2-(oxolan-2-ylmethoxy)benzamide
CID 42923990
2-(oxolan-2-ylmethoxy)-N-prop-2-ynylbenzamide
CID 43047937
(2S)-2-[(2-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 42255886
2-(oxolan-2-ylmethoxy)benzamide
CID 24633130
N-(3-hydroxypropyl)-2-(oxolan-2-ylmethoxy)benzamide
CID 78854576
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-(oxolan-2-ylmethoxy)benzamide
CID 46536372
(2R)-2-[[2-(2-ethoxyethoxy)benzoyl]amino]-4-methylpentanoic acid
CID 119364108
2-methyl-5-[[[2-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]methyl]furan-3-carboxylic acid
CID 125150340
2-methoxy-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386282
2-(oxolan-2-ylmethoxy)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 46422005

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[[2-[[(2S)-oxolan-2-yl]methoxy]benzoyl]amino]pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-[[2-[[(2S)-oxolan-2-yl]methoxy]benzoyl]amino]pentanoic acid (CID 125152132) is (2R)-4-methyl-2-[[2-[[(2S)-oxolan-2-yl]methoxy]benzoyl]amino]pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-[[2-[[(2S)-oxolan-2-yl]methoxy]benzoyl]amino]pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-[[2-[[(2S)-oxolan-2-yl]methoxy]benzoyl]amino]pentanoic acid is CC(C)C[C@@H](NC(=O)c1ccccc1OC[C@@H]1CCCO1)C(=O)O.
What is the InChIKey of (2R)-4-methyl-2-[[2-[[(2S)-oxolan-2-yl]methoxy]benzoyl]amino]pentanoic acid?
The InChIKey is NCZQSHWUXNGKRW-DZGCQCFKSA-N. The full InChI is InChI=1S/C18H25NO5/c1-12(2)10-15(18(21)22)19-17(20)14-7-3-4-8-16(14)24-11-13-6-5-9-23-13/h3-4,7-8,12-13,15H,5-6,9-11H2,1-2H3,(H,19,20)(H,21,22)/t13-,15+/m0/s1.
What are the key properties of (2R)-4-methyl-2-[[2-[[(2S)-oxolan-2-yl]methoxy]benzoyl]amino]pentanoic acid?
(2R)-4-methyl-2-[[2-[[(2S)-oxolan-2-yl]methoxy]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-[[2-[[(2S)-oxolan-2-yl]methoxy]benzoyl]amino]pentanoic acid is sourced from PubChem (CID 125152132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).