3-[ethyl(oxan-3-yl)amino]propanoic acid

C10H19NO3 — CID 65062378

IUPAC3-[ethyl(oxan-3-yl)amino]propanoic acid
SMILESCCN(CCC(=O)O)C1CCCOC1
InChIInChI=1S/C10H19NO3/c1-2-11(6-5-10(12)13)9-4-3-7-14-8-9/h9H,2-8H2,1H3,(H,12,13)
InChIKeyRFLXPXKEEPNRCG-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.96
Rot. Bonds5

About 3-[ethyl(oxan-3-yl)amino]propanoic acid

3-[ethyl(oxan-3-yl)amino]propanoic acid (PubChem CID 65062378) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-[ethyl(oxan-3-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl(oxan-3-yl)amino]propanoic acid
PubChem CID65062378
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name3-[ethyl(oxan-3-yl)amino]propanoic acid
SMILESCCN(CCC(=O)O)C1CCCOC1
InChIInChI=1S/C10H19NO3/c1-2-11(6-5-10(12)13)9-4-3-7-14-8-9/h9H,2-8H2,1H3,(H,12,13)
InChIKeyRFLXPXKEEPNRCG-UHFFFAOYSA-N
XLogP0.96
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl(oxan-3-yl)amino]propanethioamide
CID 107134685
ethyl 2-[ethyl(oxan-3-yl)amino]acetate
CID 103892716
3-[(4-aminocyclohexyl)-ethylamino]propanoic acid
CID 79115702
3-[ethyl-(2-hydroxycyclopentyl)amino]propanoic acid
CID 61011037
3-[(3,3-dimethylcyclopentyl)-ethylamino]propanoic acid
CID 80699493
3-[2-methyl-N-(oxan-3-yl)anilino]propanoic acid
CID 65059140
methyl 3-[ethyl(oxan-4-yl)amino]propanoate
CID 63937112
3-[(1,5-dimethylpyrrolidin-3-yl)-ethylamino]propanoic acid
CID 81468670
3-methyl-3-[methyl(oxan-3-yl)amino]butanoic acid
CID 110838614
2-[carboxymethyl(oxolan-3-yl)amino]acetic acid
CID 63644632
3-[methyl(oxan-3-ylcarbamoyl)amino]propanoic acid
CID 63361423
N-ethyl-N-(pyrrolidin-2-ylmethyl)oxan-3-amine
CID 106603663

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(oxan-3-yl)amino]propanoic acid?
The IUPAC name of 3-[ethyl(oxan-3-yl)amino]propanoic acid (CID 65062378) is 3-[ethyl(oxan-3-yl)amino]propanoic acid.
What is the SMILES notation for 3-[ethyl(oxan-3-yl)amino]propanoic acid?
The canonical SMILES for 3-[ethyl(oxan-3-yl)amino]propanoic acid is CCN(CCC(=O)O)C1CCCOC1.
What is the InChIKey of 3-[ethyl(oxan-3-yl)amino]propanoic acid?
The InChIKey is RFLXPXKEEPNRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-2-11(6-5-10(12)13)9-4-3-7-14-8-9/h9H,2-8H2,1H3,(H,12,13).
What are the key properties of 3-[ethyl(oxan-3-yl)amino]propanoic acid?
3-[ethyl(oxan-3-yl)amino]propanoic acid has a molecular weight of 201.27 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(oxan-3-yl)amino]propanoic acid is sourced from PubChem (CID 65062378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).