2-[1-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]piperidin-3-yl]acetic acid

C14H21N3O4 — CID 62690624

IUPAC2-[1-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]piperidin-3-yl]acetic acid
SMILESCc1cc(NC(=O)CCN2CCCC(CC(=O)O)C2)no1
InChIInChI=1S/C14H21N3O4/c1-10-7-12(16-21-10)15-13(18)4-6-17-5-2-3-11(9-17)8-14(19)20/h7,11H,2-6,8-9H2,1H3,(H,19,20)(H,15,16,18)
InChIKeyIDQPQUZMCBDAFK-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.50
Rot. Bonds6

About 2-[1-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]piperidin-3-yl]acetic acid

2-[1-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]piperidin-3-yl]acetic acid (PubChem CID 62690624) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[1-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]piperidin-3-yl]acetic acid
PubChem CID62690624
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name2-[1-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]piperidin-3-yl]acetic acid
SMILESCc1cc(NC(=O)CCN2CCCC(CC(=O)O)C2)no1
InChIInChI=1S/C14H21N3O4/c1-10-7-12(16-21-10)15-13(18)4-6-17-5-2-3-11(9-17)8-14(19)20/h7,11H,2-6,8-9H2,1H3,(H,19,20)(H,15,16,18)
InChIKeyIDQPQUZMCBDAFK-UHFFFAOYSA-N
XLogP1.50
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[1-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]piperidin-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]piperidin-3-yl]acetic acid (CID 62690624) is 2-[1-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]piperidin-3-yl]acetic acid is Cc1cc(NC(=O)CCN2CCCC(CC(=O)O)C2)no1.
What is the InChIKey of 2-[1-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]piperidin-3-yl]acetic acid?
The InChIKey is IDQPQUZMCBDAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-10-7-12(16-21-10)15-13(18)4-6-17-5-2-3-11(9-17)8-14(19)20/h7,11H,2-6,8-9H2,1H3,(H,19,20)(H,15,16,18).
What are the key properties of 2-[1-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]piperidin-3-yl]acetic acid?
2-[1-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]piperidin-3-yl]acetic acid has a molecular weight of 295.34 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]piperidin-3-yl]acetic acid is sourced from PubChem (CID 62690624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).