3-[1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]piperidin-4-yl]oxypropanoic acid

C15H28N2O4 — CID 63902664

IUPAC3-[1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]piperidin-4-yl]oxypropanoic acid
SMILESCC(C)C(C)NC(=O)CN1CCC(OCCC(=O)O)CC1
InChIInChI=1S/C15H28N2O4/c1-11(2)12(3)16-14(18)10-17-7-4-13(5-8-17)21-9-6-15(19)20/h11-13H,4-10H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyCWGIVPKQRQCRFX-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.10
Rot. Bonds8

About 3-[1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]piperidin-4-yl]oxypropanoic acid

3-[1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]piperidin-4-yl]oxypropanoic acid (PubChem CID 63902664) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-[1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]piperidin-4-yl]oxypropanoic acid.

Molecular Properties

Compound Name3-[1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]piperidin-4-yl]oxypropanoic acid
PubChem CID63902664
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name3-[1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]piperidin-4-yl]oxypropanoic acid
SMILESCC(C)C(C)NC(=O)CN1CCC(OCCC(=O)O)CC1
InChIInChI=1S/C15H28N2O4/c1-11(2)12(3)16-14(18)10-17-7-4-13(5-8-17)21-9-6-15(19)20/h11-13H,4-10H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyCWGIVPKQRQCRFX-UHFFFAOYSA-N
XLogP1.10
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]piperidin-4-yl]oxypropanoic acid?
The IUPAC name of 3-[1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]piperidin-4-yl]oxypropanoic acid (CID 63902664) is 3-[1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]piperidin-4-yl]oxypropanoic acid.
What is the SMILES notation for 3-[1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]piperidin-4-yl]oxypropanoic acid?
The canonical SMILES for 3-[1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]piperidin-4-yl]oxypropanoic acid is CC(C)C(C)NC(=O)CN1CCC(OCCC(=O)O)CC1.
What is the InChIKey of 3-[1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]piperidin-4-yl]oxypropanoic acid?
The InChIKey is CWGIVPKQRQCRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-11(2)12(3)16-14(18)10-17-7-4-13(5-8-17)21-9-6-15(19)20/h11-13H,4-10H2,1-3H3,(H,16,18)(H,19,20).
What are the key properties of 3-[1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]piperidin-4-yl]oxypropanoic acid?
3-[1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]piperidin-4-yl]oxypropanoic acid has a molecular weight of 300.40 g/mol, XLogP of 1.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]piperidin-4-yl]oxypropanoic acid is sourced from PubChem (CID 63902664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).