2-[[2-(4-aminopiperidin-1-yl)acetyl]-tert-butylamino]acetic acid

C13H25N3O3 — CID 79327827

IUPAC2-[[2-(4-aminopiperidin-1-yl)acetyl]-tert-butylamino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)C(=O)CN1CCC(N)CC1
InChIInChI=1S/C13H25N3O3/c1-13(2,3)16(9-12(18)19)11(17)8-15-6-4-10(14)5-7-15/h10H,4-9,14H2,1-3H3,(H,18,19)
InChIKeyVPEIDEXGAJTQDR-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.12
Rot. Bonds4

About 2-[[2-(4-aminopiperidin-1-yl)acetyl]-tert-butylamino]acetic acid

2-[[2-(4-aminopiperidin-1-yl)acetyl]-tert-butylamino]acetic acid (PubChem CID 79327827) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[[2-(4-aminopiperidin-1-yl)acetyl]-tert-butylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(4-aminopiperidin-1-yl)acetyl]-tert-butylamino]acetic acid
PubChem CID79327827
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name2-[[2-(4-aminopiperidin-1-yl)acetyl]-tert-butylamino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)C(=O)CN1CCC(N)CC1
InChIInChI=1S/C13H25N3O3/c1-13(2,3)16(9-12(18)19)11(17)8-15-6-4-10(14)5-7-15/h10H,4-9,14H2,1-3H3,(H,18,19)
InChIKeyVPEIDEXGAJTQDR-UHFFFAOYSA-N
XLogP0.12
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-aminopiperidin-1-yl)acetyl]-(2-methoxyethyl)amino]acetic acid
CID 79327977
2-(4-aminopiperidin-1-yl)-N,N-di(propan-2-yl)acetamide
CID 43556875
2-[(3-aminopiperidine-1-carbonyl)-tert-butylamino]acetic acid
CID 79257422
2-(4-aminoazepan-1-yl)-N,N-dimethylacetamide
CID 127011721
2-(4-aminopiperidin-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 79328008
2-(4-aminopiperidin-1-yl)-N-ethyl-N-propan-2-ylacetamide
CID 79333087
2-(4-aminopiperidin-1-yl)-N-tert-butylacetamide;dihydrochloride
CID 56773517
2-(4-aminopiperidin-1-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 79327859
2-[3-aminopropanoyl(tert-butyl)amino]acetic acid
CID 79268862
2-(4-aminopiperidin-1-yl)-N-butyl-N-cyclopropylacetamide
CID 79328313
2-(4-aminopiperidin-1-yl)-N-methyl-N-(oxan-4-yl)acetamide
CID 79328227
2-(4-aminopiperidin-1-yl)-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 82724240

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-aminopiperidin-1-yl)acetyl]-tert-butylamino]acetic acid?
The IUPAC name of 2-[[2-(4-aminopiperidin-1-yl)acetyl]-tert-butylamino]acetic acid (CID 79327827) is 2-[[2-(4-aminopiperidin-1-yl)acetyl]-tert-butylamino]acetic acid.
What is the SMILES notation for 2-[[2-(4-aminopiperidin-1-yl)acetyl]-tert-butylamino]acetic acid?
The canonical SMILES for 2-[[2-(4-aminopiperidin-1-yl)acetyl]-tert-butylamino]acetic acid is CC(C)(C)N(CC(=O)O)C(=O)CN1CCC(N)CC1.
What is the InChIKey of 2-[[2-(4-aminopiperidin-1-yl)acetyl]-tert-butylamino]acetic acid?
The InChIKey is VPEIDEXGAJTQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-13(2,3)16(9-12(18)19)11(17)8-15-6-4-10(14)5-7-15/h10H,4-9,14H2,1-3H3,(H,18,19).
What are the key properties of 2-[[2-(4-aminopiperidin-1-yl)acetyl]-tert-butylamino]acetic acid?
2-[[2-(4-aminopiperidin-1-yl)acetyl]-tert-butylamino]acetic acid has a molecular weight of 271.36 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-aminopiperidin-1-yl)acetyl]-tert-butylamino]acetic acid is sourced from PubChem (CID 79327827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).