3-[3-(oxan-4-yloxy)propanoyl-propan-2-ylamino]propanoic acid

C14H25NO5 — CID 120520092

IUPAC3-[3-(oxan-4-yloxy)propanoyl-propan-2-ylamino]propanoic acid
SMILESCC(C)N(CCC(=O)O)C(=O)CCOC1CCOCC1
InChIInChI=1S/C14H25NO5/c1-11(2)15(7-3-14(17)18)13(16)6-10-20-12-4-8-19-9-5-12/h11-12H,3-10H2,1-2H3,(H,17,18)
InChIKeyGNWLOOMWUMKEDA-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.28
Rot. Bonds8

About 3-[3-(oxan-4-yloxy)propanoyl-propan-2-ylamino]propanoic acid

3-[3-(oxan-4-yloxy)propanoyl-propan-2-ylamino]propanoic acid (PubChem CID 120520092) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-[3-(oxan-4-yloxy)propanoyl-propan-2-ylamino]propanoic acid.

Molecular Properties

Compound Name3-[3-(oxan-4-yloxy)propanoyl-propan-2-ylamino]propanoic acid
PubChem CID120520092
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Name3-[3-(oxan-4-yloxy)propanoyl-propan-2-ylamino]propanoic acid
SMILESCC(C)N(CCC(=O)O)C(=O)CCOC1CCOCC1
InChIInChI=1S/C14H25NO5/c1-11(2)15(7-3-14(17)18)13(16)6-10-20-12-4-8-19-9-5-12/h11-12H,3-10H2,1-2H3,(H,17,18)
InChIKeyGNWLOOMWUMKEDA-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

2-[[2-(oxan-4-yloxy)acetyl]-propan-2-ylamino]acetic acid
CID 120580773
3-[oxan-4-ylcarbamoyl(propan-2-yl)amino]propanoic acid
CID 61202946
2-[3-(oxan-4-yloxy)propanoylamino]propanoic acid
CID 119348600
(2S)-2-[3-(oxan-4-yloxy)propanoylamino]propanoic acid
CID 119943226
N-(3-amino-4-methylpentyl)-N-methyl-3-(oxan-4-yloxy)propanamide
CID 119659339
N-(3-hydroxypropyl)-3-piperidin-4-yloxy-N-propan-2-ylpropanamide
CID 63877523
3-[(2-methoxyacetyl)-propan-2-ylamino]propanoic acid
CID 61276954
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(oxan-4-yloxy)propanamide
CID 61288394
3-[[2-(oxolan-2-yl)acetyl]-propan-2-ylamino]propanoic acid
CID 65157514
2-(methylamino)-4-(oxan-4-yloxy)butanoic acid
CID 63040373
4-[3-ethoxypropanoyl(propan-2-yl)amino]butanoic acid
CID 55091738
2-[(3,5-dimethoxyphenyl)methyl-[3-(oxan-4-yloxy)propanoyl]amino]acetic acid
CID 120518117

Frequently Asked Questions

What is the IUPAC name of 3-[3-(oxan-4-yloxy)propanoyl-propan-2-ylamino]propanoic acid?
The IUPAC name of 3-[3-(oxan-4-yloxy)propanoyl-propan-2-ylamino]propanoic acid (CID 120520092) is 3-[3-(oxan-4-yloxy)propanoyl-propan-2-ylamino]propanoic acid.
What is the SMILES notation for 3-[3-(oxan-4-yloxy)propanoyl-propan-2-ylamino]propanoic acid?
The canonical SMILES for 3-[3-(oxan-4-yloxy)propanoyl-propan-2-ylamino]propanoic acid is CC(C)N(CCC(=O)O)C(=O)CCOC1CCOCC1.
What is the InChIKey of 3-[3-(oxan-4-yloxy)propanoyl-propan-2-ylamino]propanoic acid?
The InChIKey is GNWLOOMWUMKEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO5/c1-11(2)15(7-3-14(17)18)13(16)6-10-20-12-4-8-19-9-5-12/h11-12H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 3-[3-(oxan-4-yloxy)propanoyl-propan-2-ylamino]propanoic acid?
3-[3-(oxan-4-yloxy)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-[3-(oxan-4-yloxy)propanoyl-propan-2-ylamino]propanoic acid is sourced from PubChem (CID 120520092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).