2-[1-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]piperidin-4-yl]acetic acid

C14H21N3O4 — CID 79612210

IUPAC2-[1-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]piperidin-4-yl]acetic acid
SMILESCc1cc(NC(=O)CCN2CCC(CC(=O)O)CC2)no1
InChIInChI=1S/C14H21N3O4/c1-10-8-12(16-21-10)15-13(18)4-7-17-5-2-11(3-6-17)9-14(19)20/h8,11H,2-7,9H2,1H3,(H,19,20)(H,15,16,18)
InChIKeyRFYXAQZFSHFARD-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-4-yl]acetic acid

2-[1-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]piperidin-4-yl]acetic acid (PubChem CID 79612210) 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-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]piperidin-4-yl]acetic acid
PubChem CID79612210
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-4-yl]acetic acid
SMILESCc1cc(NC(=O)CCN2CCC(CC(=O)O)CC2)no1
InChIInChI=1S/C14H21N3O4/c1-10-8-12(16-21-10)15-13(18)4-7-17-5-2-11(3-6-17)9-14(19)20/h8,11H,2-7,9H2,1H3,(H,19,20)(H,15,16,18)
InChIKeyRFYXAQZFSHFARD-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

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Related Compounds

3-[4-(ethylaminomethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride
CID 119927941
3-[3-(aminomethyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 62063401
3-[(3R)-3-aminopyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride
CID 119905235
3-(4-hydroxy-3-methylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 114681223
3-[(3R)-3-aminopiperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 102977266
N-(5-methyl-1,2-oxazol-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 707006
2-(4-benzylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 8904460
3-[3-(2-aminoethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride
CID 120728104
N-(5-methyl-1,2-oxazol-3-yl)-3-[4-(2-phenoxyethyl)piperazin-1-yl]propanamide
CID 78792894
3-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 86771058
2-[1-[3-(methylamino)-3-oxopropyl]piperidin-4-yl]acetic acid
CID 79609077
3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 122134106

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]piperidin-4-yl]acetic acid (CID 79612210) is 2-[1-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]piperidin-4-yl]acetic acid is Cc1cc(NC(=O)CCN2CCC(CC(=O)O)CC2)no1.
What is the InChIKey of 2-[1-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]piperidin-4-yl]acetic acid?
The InChIKey is RFYXAQZFSHFARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-10-8-12(16-21-10)15-13(18)4-7-17-5-2-11(3-6-17)9-14(19)20/h8,11H,2-7,9H2,1H3,(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-4-yl]acetic acid?
2-[1-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]piperidin-4-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-4-yl]acetic acid is sourced from PubChem (CID 79612210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).