2-[4-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]piperazin-1-yl]propanoic acid

C13H20N4O4 — CID 62309915

IUPAC2-[4-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]piperazin-1-yl]propanoic acid
SMILESCc1cc(CNC(=O)N2CCN(C(C)C(=O)O)CC2)on1
InChIInChI=1S/C13H20N4O4/c1-9-7-11(21-15-9)8-14-13(20)17-5-3-16(4-6-17)10(2)12(18)19/h7,10H,3-6,8H2,1-2H3,(H,14,20)(H,18,19)
InChIKeyWJNCVZGBZSXXFY-UHFFFAOYSA-N
MW296.33 g/mol
LogP0.28
Rot. Bonds4

About 2-[4-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]piperazin-1-yl]propanoic acid

2-[4-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]piperazin-1-yl]propanoic acid (PubChem CID 62309915) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-[4-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]piperazin-1-yl]propanoic acid
PubChem CID62309915
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Name2-[4-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]piperazin-1-yl]propanoic acid
SMILESCc1cc(CNC(=O)N2CCN(C(C)C(=O)O)CC2)on1
InChIInChI=1S/C13H20N4O4/c1-9-7-11(21-15-9)8-14-13(20)17-5-3-16(4-6-17)10(2)12(18)19/h7,10H,3-6,8H2,1-2H3,(H,14,20)(H,18,19)
InChIKeyWJNCVZGBZSXXFY-UHFFFAOYSA-N
XLogP0.28
TPSA98.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide
CID 129396999
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 49130402
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(thian-4-yl)piperazine-1-carboxamide
CID 119068232
2-[4-(pyridin-4-ylmethylcarbamoyl)piperazin-1-yl]propanoic acid
CID 62310705
(3S,4S)-4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 98542845
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide
CID 71924354
2-[4-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperazin-1-yl]propanoic acid
CID 62311321
(8aS)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide
CID 126438993
(2R)-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]propanoic acid
CID 83195269
4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-propylpiperazine-1-carboxamide
CID 47125438
2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-propan-2-ylpropanamide
CID 166605462
2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide
CID 86916000

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]piperazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]piperazin-1-yl]propanoic acid (CID 62309915) is 2-[4-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]piperazin-1-yl]propanoic acid is Cc1cc(CNC(=O)N2CCN(C(C)C(=O)O)CC2)on1.
What is the InChIKey of 2-[4-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]piperazin-1-yl]propanoic acid?
The InChIKey is WJNCVZGBZSXXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4/c1-9-7-11(21-15-9)8-14-13(20)17-5-3-16(4-6-17)10(2)12(18)19/h7,10H,3-6,8H2,1-2H3,(H,14,20)(H,18,19).
What are the key properties of 2-[4-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]piperazin-1-yl]propanoic acid?
2-[4-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]piperazin-1-yl]propanoic acid has a molecular weight of 296.33 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]piperazin-1-yl]propanoic acid is sourced from PubChem (CID 62309915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).