2-[tert-butyl(piperidine-4-carbonyl)amino]acetic acid

C12H22N2O3 — CID 79269576

IUPAC2-[tert-butyl(piperidine-4-carbonyl)amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)C(=O)C1CCNCC1
InChIInChI=1S/C12H22N2O3/c1-12(2,3)14(8-10(15)16)11(17)9-4-6-13-7-5-9/h9,13H,4-8H2,1-3H3,(H,15,16)
InChIKeyLXNUYVQYRWIASW-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.70
Rot. Bonds3

About 2-[tert-butyl(piperidine-4-carbonyl)amino]acetic acid

2-[tert-butyl(piperidine-4-carbonyl)amino]acetic acid (PubChem CID 79269576) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[tert-butyl(piperidine-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl(piperidine-4-carbonyl)amino]acetic acid
PubChem CID79269576
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[tert-butyl(piperidine-4-carbonyl)amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)C(=O)C1CCNCC1
InChIInChI=1S/C12H22N2O3/c1-12(2,3)14(8-10(15)16)11(17)9-4-6-13-7-5-9/h9,13H,4-8H2,1-3H3,(H,15,16)
InChIKeyLXNUYVQYRWIASW-UHFFFAOYSA-N
XLogP0.70
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-acetylpiperidine-4-carbonyl)-tert-butylamino]acetic acid
CID 79266328
2-[tert-butyl(piperidin-4-ylcarbamoyl)amino]acetic acid
CID 79257337
2-[tert-butyl(thiolane-3-carbonyl)amino]acetic acid
CID 79266759
3-[tert-butyl(pyrrolidine-3-carbonyl)amino]propanoic acid
CID 63005181
2-[(1-acetylpiperidine-3-carbonyl)-tert-butylamino]acetic acid
CID 79265924
N-[2-(dimethylamino)-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 43375315
2-[4-chloro-N-(piperidine-4-carbonyl)anilino]acetic acid
CID 61161669
N-cyclopropyl-N-ethylpiperidine-4-carboxamide
CID 43264267
N,N-di(propan-2-yl)piperidine-4-carboxamide;hydrochloride
CID 47002845
2-[methyl(3-piperidin-4-ylpropanoyl)amino]acetic acid
CID 62212379
N,N-dipropylpiperidine-4-carboxamide;hydrochloride
CID 53410679
N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 54872289

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(piperidine-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[tert-butyl(piperidine-4-carbonyl)amino]acetic acid (CID 79269576) is 2-[tert-butyl(piperidine-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl(piperidine-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[tert-butyl(piperidine-4-carbonyl)amino]acetic acid is CC(C)(C)N(CC(=O)O)C(=O)C1CCNCC1.
What is the InChIKey of 2-[tert-butyl(piperidine-4-carbonyl)amino]acetic acid?
The InChIKey is LXNUYVQYRWIASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-12(2,3)14(8-10(15)16)11(17)9-4-6-13-7-5-9/h9,13H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 2-[tert-butyl(piperidine-4-carbonyl)amino]acetic acid?
2-[tert-butyl(piperidine-4-carbonyl)amino]acetic acid has a molecular weight of 242.32 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(piperidine-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 79269576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).