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

C9H15N3O4 — CID 63661097

IUPAC2-[methyl-[(6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)NC1CCC(=O)NC1
InChIInChI=1S/C9H15N3O4/c1-12(5-8(14)15)9(16)11-6-2-3-7(13)10-4-6/h6H,2-5H2,1H3,(H,10,13)(H,11,16)(H,14,15)
InChIKeyBVWDOENXMHCMCL-UHFFFAOYSA-N
MW229.24 g/mol
LogP-1.01
Rot. Bonds3

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

2-[methyl-[(6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid (PubChem CID 63661097) has the molecular formula C9H15N3O4 and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-[methyl-[(6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[(6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid
PubChem CID63661097
Molecular FormulaC9H15N3O4
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Name2-[methyl-[(6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)NC1CCC(=O)NC1
InChIInChI=1S/C9H15N3O4/c1-12(5-8(14)15)9(16)11-6-2-3-7(13)10-4-6/h6H,2-5H2,1H3,(H,10,13)(H,11,16)(H,14,15)
InChIKeyBVWDOENXMHCMCL-UHFFFAOYSA-N
XLogP-1.01
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[(6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid (CID 63661097) is 2-[methyl-[(6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[(6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[(6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid is CN(CC(=O)O)C(=O)NC1CCC(=O)NC1.
What is the InChIKey of 2-[methyl-[(6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid?
The InChIKey is BVWDOENXMHCMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4/c1-12(5-8(14)15)9(16)11-6-2-3-7(13)10-4-6/h6H,2-5H2,1H3,(H,10,13)(H,11,16)(H,14,15).
What are the key properties of 2-[methyl-[(6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid?
2-[methyl-[(6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid has a molecular weight of 229.24 g/mol, XLogP of -1.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 63661097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).