2-[[2-(4-carbamoylpiperidin-1-yl)-2-methylpropanoyl]amino]acetic acid

C12H21N3O4 — CID 39289932

IUPAC2-[[2-(4-carbamoylpiperidin-1-yl)-2-methylpropanoyl]amino]acetic acid
SMILESCC(C)(C(=O)NCC(=O)O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C12H21N3O4/c1-12(2,11(19)14-7-9(16)17)15-5-3-8(4-6-15)10(13)18/h8H,3-7H2,1-2H3,(H2,13,18)(H,14,19)(H,16,17)
InChIKeyYJBRQGKEZKDPPF-UHFFFAOYSA-N
MW271.32 g/mol
LogP-0.84
Rot. Bonds5

About 2-[[2-(4-carbamoylpiperidin-1-yl)-2-methylpropanoyl]amino]acetic acid

2-[[2-(4-carbamoylpiperidin-1-yl)-2-methylpropanoyl]amino]acetic acid (PubChem CID 39289932) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[[2-(4-carbamoylpiperidin-1-yl)-2-methylpropanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(4-carbamoylpiperidin-1-yl)-2-methylpropanoyl]amino]acetic acid
PubChem CID39289932
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name2-[[2-(4-carbamoylpiperidin-1-yl)-2-methylpropanoyl]amino]acetic acid
SMILESCC(C)(C(=O)NCC(=O)O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C12H21N3O4/c1-12(2,11(19)14-7-9(16)17)15-5-3-8(4-6-15)10(13)18/h8H,3-7H2,1-2H3,(H2,13,18)(H,14,19)(H,16,17)
InChIKeyYJBRQGKEZKDPPF-UHFFFAOYSA-N
XLogP-0.84
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-carbamoylpiperidin-1-yl)-2-methylpropanoyl]amino]acetic acid?
The IUPAC name of 2-[[2-(4-carbamoylpiperidin-1-yl)-2-methylpropanoyl]amino]acetic acid (CID 39289932) is 2-[[2-(4-carbamoylpiperidin-1-yl)-2-methylpropanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(4-carbamoylpiperidin-1-yl)-2-methylpropanoyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(4-carbamoylpiperidin-1-yl)-2-methylpropanoyl]amino]acetic acid is CC(C)(C(=O)NCC(=O)O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 2-[[2-(4-carbamoylpiperidin-1-yl)-2-methylpropanoyl]amino]acetic acid?
The InChIKey is YJBRQGKEZKDPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-12(2,11(19)14-7-9(16)17)15-5-3-8(4-6-15)10(13)18/h8H,3-7H2,1-2H3,(H2,13,18)(H,14,19)(H,16,17).
What are the key properties of 2-[[2-(4-carbamoylpiperidin-1-yl)-2-methylpropanoyl]amino]acetic acid?
2-[[2-(4-carbamoylpiperidin-1-yl)-2-methylpropanoyl]amino]acetic acid has a molecular weight of 271.32 g/mol, XLogP of -0.84, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-carbamoylpiperidin-1-yl)-2-methylpropanoyl]amino]acetic acid is sourced from PubChem (CID 39289932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).