2-[1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidin-2-yl]acetic acid

C12H21N3O4 — CID 54899679

IUPAC2-[1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidin-2-yl]acetic acid
SMILESCNC(=O)NC(=O)C(C)N1CCCCC1CC(=O)O
InChIInChI=1S/C12H21N3O4/c1-8(11(18)14-12(19)13-2)15-6-4-3-5-9(15)7-10(16)17/h8-9H,3-7H2,1-2H3,(H,16,17)(H2,13,14,18,19)
InChIKeyFELSKPNQUOMGJQ-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.16
Rot. Bonds4

About 2-[1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidin-2-yl]acetic acid

2-[1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidin-2-yl]acetic acid (PubChem CID 54899679) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidin-2-yl]acetic acid
PubChem CID54899679
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name2-[1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidin-2-yl]acetic acid
SMILESCNC(=O)NC(=O)C(C)N1CCCCC1CC(=O)O
InChIInChI=1S/C12H21N3O4/c1-8(11(18)14-12(19)13-2)15-6-4-3-5-9(15)7-10(16)17/h8-9H,3-7H2,1-2H3,(H,16,17)(H2,13,14,18,19)
InChIKeyFELSKPNQUOMGJQ-UHFFFAOYSA-N
XLogP0.16
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
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 ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidin-2-yl]acetic acid (CID 54899679) is 2-[1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidin-2-yl]acetic acid is CNC(=O)NC(=O)C(C)N1CCCCC1CC(=O)O.
What is the InChIKey of 2-[1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidin-2-yl]acetic acid?
The InChIKey is FELSKPNQUOMGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-8(11(18)14-12(19)13-2)15-6-4-3-5-9(15)7-10(16)17/h8-9H,3-7H2,1-2H3,(H,16,17)(H2,13,14,18,19).
What are the key properties of 2-[1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidin-2-yl]acetic acid?
2-[1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidin-2-yl]acetic acid has a molecular weight of 271.32 g/mol, XLogP of 0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidin-2-yl]acetic acid is sourced from PubChem (CID 54899679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).