3-[4-[methyl-(2-methyloxolan-3-yl)carbamoyl]piperazin-1-yl]propanoic acid

C14H25N3O4 — CID 82730720

IUPAC3-[4-[methyl-(2-methyloxolan-3-yl)carbamoyl]piperazin-1-yl]propanoic acid
SMILESCC1OCCC1N(C)C(=O)N1CCN(CCC(=O)O)CC1
InChIInChI=1S/C14H25N3O4/c1-11-12(4-10-21-11)15(2)14(20)17-8-6-16(7-9-17)5-3-13(18)19/h11-12H,3-10H2,1-2H3,(H,18,19)
InChIKeyGJPUBUKZGVLTMX-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.31
Rot. Bonds4

About 3-[4-[methyl-(2-methyloxolan-3-yl)carbamoyl]piperazin-1-yl]propanoic acid

3-[4-[methyl-(2-methyloxolan-3-yl)carbamoyl]piperazin-1-yl]propanoic acid (PubChem CID 82730720) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-[4-[methyl-(2-methyloxolan-3-yl)carbamoyl]piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[methyl-(2-methyloxolan-3-yl)carbamoyl]piperazin-1-yl]propanoic acid
PubChem CID82730720
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name3-[4-[methyl-(2-methyloxolan-3-yl)carbamoyl]piperazin-1-yl]propanoic acid
SMILESCC1OCCC1N(C)C(=O)N1CCN(CCC(=O)O)CC1
InChIInChI=1S/C14H25N3O4/c1-11-12(4-10-21-11)15(2)14(20)17-8-6-16(7-9-17)5-3-13(18)19/h11-12H,3-10H2,1-2H3,(H,18,19)
InChIKeyGJPUBUKZGVLTMX-UHFFFAOYSA-N
XLogP0.31
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[cyclohexyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 61189432
1-[methyl-(2-methyloxolan-3-yl)carbamoyl]azetidine-3-carboxylic acid
CID 82741951
1-[methyl-(2-methyloxolan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 82742033
3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid
CID 82719112
2-methyl-1-[methyl-(2-methyloxolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 82742275
4-methyl-1-[methyl-(2-methyloxolan-3-yl)carbamoyl]piperidine-2-carboxylic acid
CID 114425828
3-[4-[2-methoxyethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 61428532
2-chloro-N-methyl-N-(2-methyloxolan-3-yl)acetamide
CID 82733963
N-methyl-N-(2-methyloxolan-3-yl)-2-sulfanylpropanamide
CID 107033647
3-[4-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]piperazin-1-yl]propanoic acid
CID 61196920
3-[4-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]piperazin-1-yl]propanoic acid
CID 61192445
3-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]propanoic acid;hydrochloride
CID 56802011

Frequently Asked Questions

What is the IUPAC name of 3-[4-[methyl-(2-methyloxolan-3-yl)carbamoyl]piperazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-[methyl-(2-methyloxolan-3-yl)carbamoyl]piperazin-1-yl]propanoic acid (CID 82730720) is 3-[4-[methyl-(2-methyloxolan-3-yl)carbamoyl]piperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[methyl-(2-methyloxolan-3-yl)carbamoyl]piperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[methyl-(2-methyloxolan-3-yl)carbamoyl]piperazin-1-yl]propanoic acid is CC1OCCC1N(C)C(=O)N1CCN(CCC(=O)O)CC1.
What is the InChIKey of 3-[4-[methyl-(2-methyloxolan-3-yl)carbamoyl]piperazin-1-yl]propanoic acid?
The InChIKey is GJPUBUKZGVLTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-11-12(4-10-21-11)15(2)14(20)17-8-6-16(7-9-17)5-3-13(18)19/h11-12H,3-10H2,1-2H3,(H,18,19).
What are the key properties of 3-[4-[methyl-(2-methyloxolan-3-yl)carbamoyl]piperazin-1-yl]propanoic acid?
3-[4-[methyl-(2-methyloxolan-3-yl)carbamoyl]piperazin-1-yl]propanoic acid has a molecular weight of 299.37 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[methyl-(2-methyloxolan-3-yl)carbamoyl]piperazin-1-yl]propanoic acid is sourced from PubChem (CID 82730720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).