3-[2-(oxolan-2-ylmethoxy)propanoyl-propan-2-ylamino]propanoic acid

C14H25NO5 — CID 119207645

IUPAC3-[2-(oxolan-2-ylmethoxy)propanoyl-propan-2-ylamino]propanoic acid
SMILESCC(OCC1CCCO1)C(=O)N(CCC(=O)O)C(C)C
InChIInChI=1S/C14H25NO5/c1-10(2)15(7-6-13(16)17)14(18)11(3)20-9-12-5-4-8-19-12/h10-12H,4-9H2,1-3H3,(H,16,17)
InChIKeyQHBZWGOLEDPMLJ-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.28
Rot. Bonds8

About 3-[2-(oxolan-2-ylmethoxy)propanoyl-propan-2-ylamino]propanoic acid

3-[2-(oxolan-2-ylmethoxy)propanoyl-propan-2-ylamino]propanoic acid (PubChem CID 119207645) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-[2-(oxolan-2-ylmethoxy)propanoyl-propan-2-ylamino]propanoic acid.

Molecular Properties

Compound Name3-[2-(oxolan-2-ylmethoxy)propanoyl-propan-2-ylamino]propanoic acid
PubChem CID119207645
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Name3-[2-(oxolan-2-ylmethoxy)propanoyl-propan-2-ylamino]propanoic acid
SMILESCC(OCC1CCCO1)C(=O)N(CCC(=O)O)C(C)C
InChIInChI=1S/C14H25NO5/c1-10(2)15(7-6-13(16)17)14(18)11(3)20-9-12-5-4-8-19-12/h10-12H,4-9H2,1-3H3,(H,16,17)
InChIKeyQHBZWGOLEDPMLJ-UHFFFAOYSA-N
XLogP1.28
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl-[2-(oxan-2-ylmethoxy)propanoyl]amino]propanoic acid
CID 119232781
3-[[2-(oxolan-2-yl)acetyl]-propan-2-ylamino]propanoic acid
CID 65157514
2-[cyclopropyl-[2-(oxolan-2-ylmethoxy)propanoyl]amino]propanoic acid
CID 119203382
(3R)-3-(oxolan-2-ylmethoxy)butanoic acid
CID 103547787
6-[2-(oxan-2-ylmethoxy)propanoylamino]hexanoic acid
CID 119219939
2-[2-(oxolan-2-ylmethoxy)propanoylamino]butanoic acid
CID 119224066
4-[3-(oxolan-2-yl)propyl-propan-2-ylamino]butanoic acid
CID 65162413
N-methyl-2-(oxolan-2-ylmethoxy)-N-(3-phenoxypropyl)propanamide
CID 48856030
(2S)-N-methyl-2-[[(2R)-oxolan-2-yl]methoxy]-N-(3-phenoxypropyl)propanamide
CID 95164985
N-benzyl-N-ethyl-2-(oxolan-2-ylmethoxy)propanamide
CID 48846486
2-[benzyl-[2-(oxan-2-ylmethoxy)propanoyl]amino]acetic acid
CID 119196865
N-methyl-2-(oxolan-2-ylmethoxy)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119552771

Frequently Asked Questions

What is the IUPAC name of 3-[2-(oxolan-2-ylmethoxy)propanoyl-propan-2-ylamino]propanoic acid?
The IUPAC name of 3-[2-(oxolan-2-ylmethoxy)propanoyl-propan-2-ylamino]propanoic acid (CID 119207645) is 3-[2-(oxolan-2-ylmethoxy)propanoyl-propan-2-ylamino]propanoic acid.
What is the SMILES notation for 3-[2-(oxolan-2-ylmethoxy)propanoyl-propan-2-ylamino]propanoic acid?
The canonical SMILES for 3-[2-(oxolan-2-ylmethoxy)propanoyl-propan-2-ylamino]propanoic acid is CC(OCC1CCCO1)C(=O)N(CCC(=O)O)C(C)C.
What is the InChIKey of 3-[2-(oxolan-2-ylmethoxy)propanoyl-propan-2-ylamino]propanoic acid?
The InChIKey is QHBZWGOLEDPMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO5/c1-10(2)15(7-6-13(16)17)14(18)11(3)20-9-12-5-4-8-19-12/h10-12H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 3-[2-(oxolan-2-ylmethoxy)propanoyl-propan-2-ylamino]propanoic acid?
3-[2-(oxolan-2-ylmethoxy)propanoyl-propan-2-ylamino]propanoic acid has a molecular weight of 287.36 g/mol, XLogP of 1.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(oxolan-2-ylmethoxy)propanoyl-propan-2-ylamino]propanoic acid is sourced from PubChem (CID 119207645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).