2-[4-[[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]amino]piperidin-1-yl]acetic acid

C16H24N4O4 — CID 91840174

IUPAC2-[4-[[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]amino]piperidin-1-yl]acetic acid
SMILESCC(C)Cc1cc(C(=O)NC2CCN(CC(=O)O)CC2)nc(=O)[nH]1
InChIInChI=1S/C16H24N4O4/c1-10(2)7-12-8-13(19-16(24)18-12)15(23)17-11-3-5-20(6-4-11)9-14(21)22/h8,10-11H,3-7,9H2,1-2H3,(H,17,23)(H,21,22)(H,18,19,24)
InChIKeyIXFHJTVPKTUUDS-UHFFFAOYSA-N
MW336.39 g/mol
LogP0.25
Rot. Bonds6

About 2-[4-[[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]amino]piperidin-1-yl]acetic acid

2-[4-[[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]amino]piperidin-1-yl]acetic acid (PubChem CID 91840174) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-[4-[[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]amino]piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]amino]piperidin-1-yl]acetic acid
PubChem CID91840174
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Name2-[4-[[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]amino]piperidin-1-yl]acetic acid
SMILESCC(C)Cc1cc(C(=O)NC2CCN(CC(=O)O)CC2)nc(=O)[nH]1
InChIInChI=1S/C16H24N4O4/c1-10(2)7-12-8-13(19-16(24)18-12)15(23)17-11-3-5-20(6-4-11)9-14(21)22/h8,10-11H,3-7,9H2,1-2H3,(H,17,23)(H,21,22)(H,18,19,24)
InChIKeyIXFHJTVPKTUUDS-UHFFFAOYSA-N
XLogP0.25
TPSA115.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-6-isobutyl-2-oxo-1,2-dihydropyrimidine-4-carboxamide
CID 91781241
1-[(6-Isobutyl-2-oxo-1,2-dihydropyrimidin-4-yl)carbonyl]piperidine-2-carboxylic acid
CID 131901141

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]amino]piperidin-1-yl]acetic acid?
The IUPAC name of 2-[4-[[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]amino]piperidin-1-yl]acetic acid (CID 91840174) is 2-[4-[[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]amino]piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]amino]piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]amino]piperidin-1-yl]acetic acid is CC(C)Cc1cc(C(=O)NC2CCN(CC(=O)O)CC2)nc(=O)[nH]1.
What is the InChIKey of 2-[4-[[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]amino]piperidin-1-yl]acetic acid?
The InChIKey is IXFHJTVPKTUUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4/c1-10(2)7-12-8-13(19-16(24)18-12)15(23)17-11-3-5-20(6-4-11)9-14(21)22/h8,10-11H,3-7,9H2,1-2H3,(H,17,23)(H,21,22)(H,18,19,24).
What are the key properties of 2-[4-[[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]amino]piperidin-1-yl]acetic acid?
2-[4-[[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]amino]piperidin-1-yl]acetic acid has a molecular weight of 336.39 g/mol, XLogP of 0.25, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]amino]piperidin-1-yl]acetic acid is sourced from PubChem (CID 91840174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).