2-[tert-butyl(piperidin-4-ylcarbamoyl)amino]acetic acid

C12H23N3O3 — CID 79257337

IUPAC2-[tert-butyl(piperidin-4-ylcarbamoyl)amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)C(=O)NC1CCNCC1
InChIInChI=1S/C12H23N3O3/c1-12(2,3)15(8-10(16)17)11(18)14-9-4-6-13-7-5-9/h9,13H,4-8H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyANHKCUBKCHAQOP-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.63
Rot. Bonds3

About 2-[tert-butyl(piperidin-4-ylcarbamoyl)amino]acetic acid

2-[tert-butyl(piperidin-4-ylcarbamoyl)amino]acetic acid (PubChem CID 79257337) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-[tert-butyl(piperidin-4-ylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl(piperidin-4-ylcarbamoyl)amino]acetic acid
PubChem CID79257337
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name2-[tert-butyl(piperidin-4-ylcarbamoyl)amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)C(=O)NC1CCNCC1
InChIInChI=1S/C12H23N3O3/c1-12(2,3)15(8-10(16)17)11(18)14-9-4-6-13-7-5-9/h9,13H,4-8H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyANHKCUBKCHAQOP-UHFFFAOYSA-N
XLogP0.63
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[tert-butyl-[(1-oxothian-4-yl)carbamoyl]amino]acetic acid
CID 113480342
2-[tert-butyl-[(6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid
CID 79257016
2-[tert-butyl(piperidine-4-carbonyl)amino]acetic acid
CID 79269576
2-[tert-butyl-[(1-methylpyrrolidin-3-yl)carbamoyl]amino]acetic acid
CID 79257255
2-[tert-butyl-[(3,3-dimethylcyclopentyl)carbamoyl]amino]acetic acid
CID 114549087
2-[tert-butyl-[(5-oxopyrrolidin-3-yl)carbamoyl]amino]acetic acid
CID 106191614
2-[tert-butyl(2-methylpentan-2-ylcarbamoyl)amino]acetic acid
CID 113471918
2-[tert-butyl-[(2-hydroxycyclohexyl)carbamoyl]amino]acetic acid
CID 79257267
3-[piperidin-4-ylcarbamoyl(propan-2-yl)amino]propanoic acid
CID 61402752
2-[4-hydroxy-N-(piperidin-4-ylcarbamoyl)anilino]acetic acid
CID 61402704
2-[tert-butyl-[(2,6-dioxopiperidin-3-yl)carbamoyl]amino]acetic acid
CID 79256698
3,3-dimethyl-N-piperidin-4-ylbutanamide;hydrochloride
CID 53255531

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(piperidin-4-ylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[tert-butyl(piperidin-4-ylcarbamoyl)amino]acetic acid (CID 79257337) is 2-[tert-butyl(piperidin-4-ylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl(piperidin-4-ylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[tert-butyl(piperidin-4-ylcarbamoyl)amino]acetic acid is CC(C)(C)N(CC(=O)O)C(=O)NC1CCNCC1.
What is the InChIKey of 2-[tert-butyl(piperidin-4-ylcarbamoyl)amino]acetic acid?
The InChIKey is ANHKCUBKCHAQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-12(2,3)15(8-10(16)17)11(18)14-9-4-6-13-7-5-9/h9,13H,4-8H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 2-[tert-butyl(piperidin-4-ylcarbamoyl)amino]acetic acid?
2-[tert-butyl(piperidin-4-ylcarbamoyl)amino]acetic acid has a molecular weight of 257.33 g/mol, XLogP of 0.63, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(piperidin-4-ylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 79257337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).