2-[(6-oxopiperidin-3-yl)carbamoyl-propan-2-ylamino]acetic acid

C11H19N3O4 — CID 63663400

IUPAC2-[(6-oxopiperidin-3-yl)carbamoyl-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)NC1CCC(=O)NC1
InChIInChI=1S/C11H19N3O4/c1-7(2)14(6-10(16)17)11(18)13-8-3-4-9(15)12-5-8/h7-8H,3-6H2,1-2H3,(H,12,15)(H,13,18)(H,16,17)
InChIKeyFSXURDGKHWTGOK-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.23
Rot. Bonds4

About 2-[(6-oxopiperidin-3-yl)carbamoyl-propan-2-ylamino]acetic acid

2-[(6-oxopiperidin-3-yl)carbamoyl-propan-2-ylamino]acetic acid (PubChem CID 63663400) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[(6-oxopiperidin-3-yl)carbamoyl-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(6-oxopiperidin-3-yl)carbamoyl-propan-2-ylamino]acetic acid
PubChem CID63663400
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name2-[(6-oxopiperidin-3-yl)carbamoyl-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)NC1CCC(=O)NC1
InChIInChI=1S/C11H19N3O4/c1-7(2)14(6-10(16)17)11(18)13-8-3-4-9(15)12-5-8/h7-8H,3-6H2,1-2H3,(H,12,15)(H,13,18)(H,16,17)
InChIKeyFSXURDGKHWTGOK-UHFFFAOYSA-N
XLogP-0.23
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-oxopiperidin-3-yl)carbamoyl-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(6-oxopiperidin-3-yl)carbamoyl-propan-2-ylamino]acetic acid (CID 63663400) is 2-[(6-oxopiperidin-3-yl)carbamoyl-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(6-oxopiperidin-3-yl)carbamoyl-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(6-oxopiperidin-3-yl)carbamoyl-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)C(=O)NC1CCC(=O)NC1.
What is the InChIKey of 2-[(6-oxopiperidin-3-yl)carbamoyl-propan-2-ylamino]acetic acid?
The InChIKey is FSXURDGKHWTGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-7(2)14(6-10(16)17)11(18)13-8-3-4-9(15)12-5-8/h7-8H,3-6H2,1-2H3,(H,12,15)(H,13,18)(H,16,17).
What are the key properties of 2-[(6-oxopiperidin-3-yl)carbamoyl-propan-2-ylamino]acetic acid?
2-[(6-oxopiperidin-3-yl)carbamoyl-propan-2-ylamino]acetic acid has a molecular weight of 257.29 g/mol, XLogP of -0.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-oxopiperidin-3-yl)carbamoyl-propan-2-ylamino]acetic acid is sourced from PubChem (CID 63663400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).