2-[butan-2-yl-[(6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid

C12H21N3O4 — CID 55232678

IUPAC2-[butan-2-yl-[(6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)NC1CCC(=O)NC1
InChIInChI=1S/C12H21N3O4/c1-3-8(2)15(7-11(17)18)12(19)14-9-4-5-10(16)13-6-9/h8-9H,3-7H2,1-2H3,(H,13,16)(H,14,19)(H,17,18)
InChIKeyUTUGBPHQDMBOKF-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.16
Rot. Bonds5

About 2-[butan-2-yl-[(6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid

2-[butan-2-yl-[(6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid (PubChem CID 55232678) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[butan-2-yl-[(6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[(6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid
PubChem CID55232678
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name2-[butan-2-yl-[(6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)NC1CCC(=O)NC1
InChIInChI=1S/C12H21N3O4/c1-3-8(2)15(7-11(17)18)12(19)14-9-4-5-10(16)13-6-9/h8-9H,3-7H2,1-2H3,(H,13,16)(H,14,19)(H,17,18)
InChIKeyUTUGBPHQDMBOKF-UHFFFAOYSA-N
XLogP0.16
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[(6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[(6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid (CID 55232678) is 2-[butan-2-yl-[(6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[(6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[(6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)NC1CCC(=O)NC1.
What is the InChIKey of 2-[butan-2-yl-[(6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid?
The InChIKey is UTUGBPHQDMBOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-3-8(2)15(7-11(17)18)12(19)14-9-4-5-10(16)13-6-9/h8-9H,3-7H2,1-2H3,(H,13,16)(H,14,19)(H,17,18).
What are the key properties of 2-[butan-2-yl-[(6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid?
2-[butan-2-yl-[(6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid has a molecular weight of 271.32 g/mol, XLogP of 0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-[(6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 55232678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).