2-[(2-carbamoylpiperidine-1-carbonyl)-(carboxymethyl)amino]acetic acid

C11H17N3O6 — CID 63645478

IUPAC2-[(2-carbamoylpiperidine-1-carbonyl)-(carboxymethyl)amino]acetic acid
SMILESNC(=O)C1CCCCN1C(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C11H17N3O6/c12-10(19)7-3-1-2-4-14(7)11(20)13(5-8(15)16)6-9(17)18/h7H,1-6H2,(H2,12,19)(H,15,16)(H,17,18)
InChIKeyVCLBSJSWYBOAKK-UHFFFAOYSA-N
MW287.27 g/mol
LogP-1.08
Rot. Bonds5

About 2-[(2-carbamoylpiperidine-1-carbonyl)-(carboxymethyl)amino]acetic acid

2-[(2-carbamoylpiperidine-1-carbonyl)-(carboxymethyl)amino]acetic acid (PubChem CID 63645478) has the molecular formula C11H17N3O6 and a molecular weight of 287.27 g/mol. Its IUPAC name is 2-[(2-carbamoylpiperidine-1-carbonyl)-(carboxymethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-carbamoylpiperidine-1-carbonyl)-(carboxymethyl)amino]acetic acid
PubChem CID63645478
Molecular FormulaC11H17N3O6
Molecular Weight287.27 g/mol
Exact Mass287.11
IUPAC Name2-[(2-carbamoylpiperidine-1-carbonyl)-(carboxymethyl)amino]acetic acid
SMILESNC(=O)C1CCCCN1C(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C11H17N3O6/c12-10(19)7-3-1-2-4-14(7)11(20)13(5-8(15)16)6-9(17)18/h7H,1-6H2,(H2,12,19)(H,15,16)(H,17,18)
InChIKeyVCLBSJSWYBOAKK-UHFFFAOYSA-N
XLogP-1.08
TPSA141.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,1-N-diethylpiperidine-1,2-dicarboxamide
CID 115583146
2-[(2-amino-2-oxoethyl)-[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]acetic acid
CID 107437737
4-(2-carbamoylpiperidin-1-yl)-4-oxobutanoic acid
CID 43222532
2-[[2-(methylcarbamoyl)piperidine-1-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 63065974
1-(2-methylpropanoyl)piperidine-2-carboxamide
CID 60717227
1-propanoylpiperidine-2-carboxamide
CID 60717244
3-(2-carbamoylpyrrolidin-1-yl)-3-oxopropanoic acid
CID 62231270
2-[(2-ethoxycarbonylpyrrolidine-1-carbonyl)-prop-2-ynylamino]acetic acid
CID 79284149
2-[(3-carbamoylmorpholine-4-carbonyl)-prop-2-ynylamino]acetic acid
CID 83095821
2-[carboxymethyl-(2,3-dimethylpiperidine-1-carbonyl)amino]acetic acid
CID 55246330
3-(2-carbamoylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid
CID 114897445
3-[tert-butyl-(2-carbamoylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 61200021

Frequently Asked Questions

What is the IUPAC name of 2-[(2-carbamoylpiperidine-1-carbonyl)-(carboxymethyl)amino]acetic acid?
The IUPAC name of 2-[(2-carbamoylpiperidine-1-carbonyl)-(carboxymethyl)amino]acetic acid (CID 63645478) is 2-[(2-carbamoylpiperidine-1-carbonyl)-(carboxymethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-carbamoylpiperidine-1-carbonyl)-(carboxymethyl)amino]acetic acid?
The canonical SMILES for 2-[(2-carbamoylpiperidine-1-carbonyl)-(carboxymethyl)amino]acetic acid is NC(=O)C1CCCCN1C(=O)N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[(2-carbamoylpiperidine-1-carbonyl)-(carboxymethyl)amino]acetic acid?
The InChIKey is VCLBSJSWYBOAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O6/c12-10(19)7-3-1-2-4-14(7)11(20)13(5-8(15)16)6-9(17)18/h7H,1-6H2,(H2,12,19)(H,15,16)(H,17,18).
What are the key properties of 2-[(2-carbamoylpiperidine-1-carbonyl)-(carboxymethyl)amino]acetic acid?
2-[(2-carbamoylpiperidine-1-carbonyl)-(carboxymethyl)amino]acetic acid has a molecular weight of 287.27 g/mol, XLogP of -1.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-carbamoylpiperidine-1-carbonyl)-(carboxymethyl)amino]acetic acid is sourced from PubChem (CID 63645478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).