2-[1-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]piperidin-2-yl]acetic acid

C14H25N3O4 — CID 115356753

IUPAC2-[1-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]piperidin-2-yl]acetic acid
SMILESCC(C)(C)NC(=O)CNC(=O)N1CCCCC1CC(=O)O
InChIInChI=1S/C14H25N3O4/c1-14(2,3)16-11(18)9-15-13(21)17-7-5-4-6-10(17)8-12(19)20/h10H,4-9H2,1-3H3,(H,15,21)(H,16,18)(H,19,20)
InChIKeyWIQNQZCSMWNAHC-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.94
Rot. Bonds4

About 2-[1-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]piperidin-2-yl]acetic acid

2-[1-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]piperidin-2-yl]acetic acid (PubChem CID 115356753) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[1-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]piperidin-2-yl]acetic acid
PubChem CID115356753
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name2-[1-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]piperidin-2-yl]acetic acid
SMILESCC(C)(C)NC(=O)CNC(=O)N1CCCCC1CC(=O)O
InChIInChI=1S/C14H25N3O4/c1-14(2,3)16-11(18)9-15-13(21)17-7-5-4-6-10(17)8-12(19)20/h10H,4-9H2,1-3H3,(H,15,21)(H,16,18)(H,19,20)
InChIKeyWIQNQZCSMWNAHC-UHFFFAOYSA-N
XLogP0.94
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(tert-butylcarbamoyl)piperidin-2-yl]acetic acid
CID 61010694
2-[1-(2-methylprop-2-enylcarbamoyl)piperidin-2-yl]acetic acid
CID 114618094
2-[1-[(2-methoxy-2-oxoethyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 61371746
2-[1-(2-cyclohexylethylcarbamoyl)piperidin-2-yl]acetic acid
CID 61206283
2-[1-(butylcarbamoyl)piperidin-2-yl]acetic acid
CID 61010692
2-[1-[(1-methylcyclopropyl)methylcarbamoyl]piperidin-2-yl]acetic acid
CID 114101416
2-[1-(cyclobutylmethylcarbamoyl)piperidin-2-yl]acetic acid
CID 61197423
2-[1-(3-cyclopentylpropylcarbamoyl)piperidin-2-yl]acetic acid
CID 106005378
2-[1-(2-cyclopropylpropan-2-ylcarbamoyl)pyrrolidin-2-yl]acetic acid
CID 114111582
2-[1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]piperidin-2-yl]acetic acid
CID 63833186
2-[1-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 114137800
2-[1-[(1-methylcyclobutyl)carbamoyl]piperidin-2-yl]acetic acid
CID 113485792

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]piperidin-2-yl]acetic acid (CID 115356753) is 2-[1-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]piperidin-2-yl]acetic acid is CC(C)(C)NC(=O)CNC(=O)N1CCCCC1CC(=O)O.
What is the InChIKey of 2-[1-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]piperidin-2-yl]acetic acid?
The InChIKey is WIQNQZCSMWNAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-14(2,3)16-11(18)9-15-13(21)17-7-5-4-6-10(17)8-12(19)20/h10H,4-9H2,1-3H3,(H,15,21)(H,16,18)(H,19,20).
What are the key properties of 2-[1-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]piperidin-2-yl]acetic acid?
2-[1-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]piperidin-2-yl]acetic acid has a molecular weight of 299.37 g/mol, XLogP of 0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]piperidin-2-yl]acetic acid is sourced from PubChem (CID 115356753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).