2-methyl-2-[[(2S)-2-[[(2R)-oxan-2-yl]methoxy]propanoyl]amino]propanoic acid

C13H23NO5 — CID 125152183

IUPAC2-methyl-2-[[(2S)-2-[[(2R)-oxan-2-yl]methoxy]propanoyl]amino]propanoic acid
SMILESC[C@H](OC[C@H]1CCCCO1)C(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C13H23NO5/c1-9(11(15)14-13(2,3)12(16)17)19-8-10-6-4-5-7-18-10/h9-10H,4-8H2,1-3H3,(H,14,15)(H,16,17)/t9-,10+/m0/s1
InChIKeyNIUCZOYVZPBPQF-VHSXEESVSA-N
MW273.33 g/mol
LogP0.94
Rot. Bonds6

About 2-methyl-2-[[(2S)-2-[[(2R)-oxan-2-yl]methoxy]propanoyl]amino]propanoic acid

2-methyl-2-[[(2S)-2-[[(2R)-oxan-2-yl]methoxy]propanoyl]amino]propanoic acid (PubChem CID 125152183) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-methyl-2-[[(2S)-2-[[(2R)-oxan-2-yl]methoxy]propanoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[(2S)-2-[[(2R)-oxan-2-yl]methoxy]propanoyl]amino]propanoic acid
PubChem CID125152183
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Name2-methyl-2-[[(2S)-2-[[(2R)-oxan-2-yl]methoxy]propanoyl]amino]propanoic acid
SMILESC[C@H](OC[C@H]1CCCCO1)C(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C13H23NO5/c1-9(11(15)14-13(2,3)12(16)17)19-8-10-6-4-5-7-18-10/h9-10H,4-8H2,1-3H3,(H,14,15)(H,16,17)/t9-,10+/m0/s1
InChIKeyNIUCZOYVZPBPQF-VHSXEESVSA-N
XLogP0.94
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-2-[[(2S)-2-[[(2R)-oxan-2-yl]methoxy]propanoyl]amino]propanoic acid with MolForge

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-2-(oxan-2-ylmethoxy)propanamide;hydrochloride
CID 119525083
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(oxolan-2-ylmethoxy)propanamide
CID 119574453
6-[2-(oxan-2-ylmethoxy)propanoylamino]hexanoic acid
CID 119219939
N-[2-(aminomethyl)cyclopentyl]-2-(oxan-2-ylmethoxy)propanamide
CID 119605197
3-[2-(oxan-2-ylmethoxy)propanoylamino]benzoic acid
CID 119219567
2-[2-(oxolan-2-ylmethoxy)propanoylamino]butanoic acid
CID 119224066
4-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzoic acid
CID 97233672
2-(oxan-2-ylmethoxy)-N-piperidin-3-ylpropanamide
CID 119429154
(2R)-N-(benzenesulfonyl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 95272601
3-[methyl-[2-(oxan-2-ylmethoxy)propanoyl]amino]propanoic acid
CID 119232781
2-methyl-2-(oxan-2-ylmethoxy)propanoic acid
CID 82238709
(2R)-1-[2-(oxan-2-ylmethoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 119371915

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[(2S)-2-[[(2R)-oxan-2-yl]methoxy]propanoyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[[(2S)-2-[[(2R)-oxan-2-yl]methoxy]propanoyl]amino]propanoic acid (CID 125152183) is 2-methyl-2-[[(2S)-2-[[(2R)-oxan-2-yl]methoxy]propanoyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[[(2S)-2-[[(2R)-oxan-2-yl]methoxy]propanoyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[[(2S)-2-[[(2R)-oxan-2-yl]methoxy]propanoyl]amino]propanoic acid is C[C@H](OC[C@H]1CCCCO1)C(=O)NC(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[[(2S)-2-[[(2R)-oxan-2-yl]methoxy]propanoyl]amino]propanoic acid?
The InChIKey is NIUCZOYVZPBPQF-VHSXEESVSA-N. The full InChI is InChI=1S/C13H23NO5/c1-9(11(15)14-13(2,3)12(16)17)19-8-10-6-4-5-7-18-10/h9-10H,4-8H2,1-3H3,(H,14,15)(H,16,17)/t9-,10+/m0/s1.
What are the key properties of 2-methyl-2-[[(2S)-2-[[(2R)-oxan-2-yl]methoxy]propanoyl]amino]propanoic acid?
2-methyl-2-[[(2S)-2-[[(2R)-oxan-2-yl]methoxy]propanoyl]amino]propanoic acid has a molecular weight of 273.33 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[(2S)-2-[[(2R)-oxan-2-yl]methoxy]propanoyl]amino]propanoic acid is sourced from PubChem (CID 125152183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).