2-[ethyl-[4-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid

C11H20N2O4 — CID 61195912

IUPAC2-[ethyl-[4-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)N1CCC(CO)CC1
InChIInChI=1S/C11H20N2O4/c1-2-12(7-10(15)16)11(17)13-5-3-9(8-14)4-6-13/h9,14H,2-8H2,1H3,(H,15,16)
InChIKeySYWABSXCVHDLPK-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.22
Rot. Bonds4

About 2-[ethyl-[4-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid

2-[ethyl-[4-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid (PubChem CID 61195912) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[ethyl-[4-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[4-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid
PubChem CID61195912
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2-[ethyl-[4-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)N1CCC(CO)CC1
InChIInChI=1S/C11H20N2O4/c1-2-12(7-10(15)16)11(17)13-5-3-9(8-14)4-6-13/h9,14H,2-8H2,1H3,(H,15,16)
InChIKeySYWABSXCVHDLPK-UHFFFAOYSA-N
XLogP0.22
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[4-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[4-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid (CID 61195912) is 2-[ethyl-[4-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[4-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[4-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid is CCN(CC(=O)O)C(=O)N1CCC(CO)CC1.
What is the InChIKey of 2-[ethyl-[4-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid?
The InChIKey is SYWABSXCVHDLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-2-12(7-10(15)16)11(17)13-5-3-9(8-14)4-6-13/h9,14H,2-8H2,1H3,(H,15,16).
What are the key properties of 2-[ethyl-[4-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid?
2-[ethyl-[4-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid has a molecular weight of 244.29 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[4-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid is sourced from PubChem (CID 61195912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).