2-[2-(oxolan-2-ylmethoxy)propanoylamino]butanoic acid

C12H21NO5 — CID 119224066

IUPAC2-[2-(oxolan-2-ylmethoxy)propanoylamino]butanoic acid
SMILESCCC(NC(=O)C(C)OCC1CCCO1)C(=O)O
InChIInChI=1S/C12H21NO5/c1-3-10(12(15)16)13-11(14)8(2)18-7-9-5-4-6-17-9/h8-10H,3-7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyOHLLACHNKLCRNT-UHFFFAOYSA-N
MW259.30 g/mol
LogP0.55
Rot. Bonds7

About 2-[2-(oxolan-2-ylmethoxy)propanoylamino]butanoic acid

2-[2-(oxolan-2-ylmethoxy)propanoylamino]butanoic acid (PubChem CID 119224066) has the molecular formula C12H21NO5 and a molecular weight of 259.30 g/mol. Its IUPAC name is 2-[2-(oxolan-2-ylmethoxy)propanoylamino]butanoic acid.

Molecular Properties

Compound Name2-[2-(oxolan-2-ylmethoxy)propanoylamino]butanoic acid
PubChem CID119224066
Molecular FormulaC12H21NO5
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name2-[2-(oxolan-2-ylmethoxy)propanoylamino]butanoic acid
SMILESCCC(NC(=O)C(C)OCC1CCCO1)C(=O)O
InChIInChI=1S/C12H21NO5/c1-3-10(12(15)16)13-11(14)8(2)18-7-9-5-4-6-17-9/h8-10H,3-7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyOHLLACHNKLCRNT-UHFFFAOYSA-N
XLogP0.55
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2S)-2-amino-3-methylpentanoyl]amino]-3-(oxolan-2-yl)propanoic acid
CID 70219183
2-(oxolan-2-ylmethylcarbamoylamino)butanoic acid
CID 61191777
(2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]propanamide
CID 100842096
(2S)-2-[[(2R)-oxolan-2-yl]methylamino]butanoic acid
CID 30030430
(3R)-3-(oxolan-2-ylmethoxy)butanoic acid
CID 103547787
2-methyl-2-[[(2S)-2-[[(2R)-oxan-2-yl]methoxy]propanoyl]amino]propanoic acid
CID 125152183
4-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzoic acid
CID 97233672
methyl (2S)-2-[[(2R)-2-[[(2R)-oxan-2-yl]methoxy]propanoyl]amino]-3-phenylpropanoate
CID 95156285
N-(3-amino-2-methylpropyl)-2-(oxolan-2-ylmethoxy)propanamide;hydrochloride
CID 119996178
(2R)-N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 124835398
(2S)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95325759
2-[cyclopropyl-[2-(oxolan-2-ylmethoxy)propanoyl]amino]propanoic acid
CID 119203382

Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxolan-2-ylmethoxy)propanoylamino]butanoic acid?
The IUPAC name of 2-[2-(oxolan-2-ylmethoxy)propanoylamino]butanoic acid (CID 119224066) is 2-[2-(oxolan-2-ylmethoxy)propanoylamino]butanoic acid.
What is the SMILES notation for 2-[2-(oxolan-2-ylmethoxy)propanoylamino]butanoic acid?
The canonical SMILES for 2-[2-(oxolan-2-ylmethoxy)propanoylamino]butanoic acid is CCC(NC(=O)C(C)OCC1CCCO1)C(=O)O.
What is the InChIKey of 2-[2-(oxolan-2-ylmethoxy)propanoylamino]butanoic acid?
The InChIKey is OHLLACHNKLCRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO5/c1-3-10(12(15)16)13-11(14)8(2)18-7-9-5-4-6-17-9/h8-10H,3-7H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-[2-(oxolan-2-ylmethoxy)propanoylamino]butanoic acid?
2-[2-(oxolan-2-ylmethoxy)propanoylamino]butanoic acid has a molecular weight of 259.30 g/mol, XLogP of 0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxolan-2-ylmethoxy)propanoylamino]butanoic acid is sourced from PubChem (CID 119224066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).