2-[(3-aminopiperidine-1-carbonyl)-tert-butylamino]acetic acid

C12H23N3O3 — CID 79257422

IUPAC2-[(3-aminopiperidine-1-carbonyl)-tert-butylamino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)C(=O)N1CCCC(N)C1
InChIInChI=1S/C12H23N3O3/c1-12(2,3)15(8-10(16)17)11(18)14-6-4-5-9(13)7-14/h9H,4-8,13H2,1-3H3,(H,16,17)
InChIKeyLGMXVWMWIHNVDC-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.71
Rot. Bonds2

About 2-[(3-aminopiperidine-1-carbonyl)-tert-butylamino]acetic acid

2-[(3-aminopiperidine-1-carbonyl)-tert-butylamino]acetic acid (PubChem CID 79257422) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-[(3-aminopiperidine-1-carbonyl)-tert-butylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-aminopiperidine-1-carbonyl)-tert-butylamino]acetic acid
PubChem CID79257422
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name2-[(3-aminopiperidine-1-carbonyl)-tert-butylamino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)C(=O)N1CCCC(N)C1
InChIInChI=1S/C12H23N3O3/c1-12(2,3)15(8-10(16)17)11(18)14-6-4-5-9(13)7-14/h9H,4-8,13H2,1-3H3,(H,16,17)
InChIKeyLGMXVWMWIHNVDC-UHFFFAOYSA-N
XLogP0.71
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[azocane-1-carbonyl(tert-butyl)amino]acetic acid
CID 79256503
2-[tert-butyl-(4-carbamoylpiperidine-1-carbonyl)amino]acetic acid
CID 79256496
2-[tert-butyl-(4-propan-2-ylpiperidine-1-carbonyl)amino]acetic acid
CID 103500285
3-[tert-butyl-(3-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 61186708
2-(N-(3-aminopiperidine-1-carbonyl)-4-hydroxyanilino)acetic acid
CID 61403610
1-[(3R)-3-aminopiperidin-1-yl]-2,2-dimethylbutan-1-one
CID 94547731
3-amino-1-(3-aminopiperidin-1-yl)-2,2-dimethylpropan-1-one;hydrochloride
CID 130637170
2-[[2-(4-aminopiperidin-1-yl)acetyl]-tert-butylamino]acetic acid
CID 79327827
2-[(1-acetylpiperidine-3-carbonyl)-tert-butylamino]acetic acid
CID 79265924
3-[(3-aminopiperidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 64701839
1-(3-aminopiperidin-1-yl)-3-methoxy-3-methylbutan-1-one
CID 103017160
1-(3-aminopiperidin-1-yl)-4,4-dimethylpentan-1-one
CID 115277222

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminopiperidine-1-carbonyl)-tert-butylamino]acetic acid?
The IUPAC name of 2-[(3-aminopiperidine-1-carbonyl)-tert-butylamino]acetic acid (CID 79257422) is 2-[(3-aminopiperidine-1-carbonyl)-tert-butylamino]acetic acid.
What is the SMILES notation for 2-[(3-aminopiperidine-1-carbonyl)-tert-butylamino]acetic acid?
The canonical SMILES for 2-[(3-aminopiperidine-1-carbonyl)-tert-butylamino]acetic acid is CC(C)(C)N(CC(=O)O)C(=O)N1CCCC(N)C1.
What is the InChIKey of 2-[(3-aminopiperidine-1-carbonyl)-tert-butylamino]acetic acid?
The InChIKey is LGMXVWMWIHNVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-12(2,3)15(8-10(16)17)11(18)14-6-4-5-9(13)7-14/h9H,4-8,13H2,1-3H3,(H,16,17).
What are the key properties of 2-[(3-aminopiperidine-1-carbonyl)-tert-butylamino]acetic acid?
2-[(3-aminopiperidine-1-carbonyl)-tert-butylamino]acetic acid has a molecular weight of 257.33 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminopiperidine-1-carbonyl)-tert-butylamino]acetic acid is sourced from PubChem (CID 79257422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).