2-[(2,6-dimethylpiperidine-1-carbonyl)-propan-2-ylamino]acetic acid

C13H24N2O3 — CID 61189877

IUPAC2-[(2,6-dimethylpiperidine-1-carbonyl)-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)N1C(C)CCCC1C
InChIInChI=1S/C13H24N2O3/c1-9(2)14(8-12(16)17)13(18)15-10(3)6-5-7-11(15)4/h9-11H,5-8H2,1-4H3,(H,16,17)
InChIKeyYGFRJKIVJHCMRT-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.16
Rot. Bonds3

About 2-[(2,6-dimethylpiperidine-1-carbonyl)-propan-2-ylamino]acetic acid

2-[(2,6-dimethylpiperidine-1-carbonyl)-propan-2-ylamino]acetic acid (PubChem CID 61189877) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[(2,6-dimethylpiperidine-1-carbonyl)-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(2,6-dimethylpiperidine-1-carbonyl)-propan-2-ylamino]acetic acid
PubChem CID61189877
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[(2,6-dimethylpiperidine-1-carbonyl)-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)N1C(C)CCCC1C
InChIInChI=1S/C13H24N2O3/c1-9(2)14(8-12(16)17)13(18)15-10(3)6-5-7-11(15)4/h9-11H,5-8H2,1-4H3,(H,16,17)
InChIKeyYGFRJKIVJHCMRT-UHFFFAOYSA-N
XLogP2.16
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-cyclobutylacetyl)-propan-2-ylamino]acetic acid
CID 103925577
2-[2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl(propan-2-yl)amino]acetic acid
CID 82750454
2-[[cyclopentyl(methyl)carbamoyl]-propan-2-ylamino]acetic acid
CID 55137125
4-[(2,6-dimethylpiperidine-1-carbonyl)-methylamino]butanoic acid
CID 43329817
2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]-methylamino]propanoic acid
CID 104967956
2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)-propan-2-ylamino]acetic acid
CID 102961835
2-[(1-acetylpyrrolidine-2-carbonyl)-propan-2-ylamino]acetic acid
CID 120581106
2-[(4-cyclopropylpiperazine-1-carbonyl)-propan-2-ylamino]acetic acid
CID 61443277
(2R)-2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-methylamino]propanoic acid
CID 124835751
2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-prop-2-ynylamino]acetic acid
CID 79283995
2-[[2-(cyclopropylamino)acetyl]-propan-2-ylamino]acetic acid
CID 61162023
2-[(2-cyclohexylacetyl)-propan-2-ylamino]acetic acid
CID 60831184

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylpiperidine-1-carbonyl)-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(2,6-dimethylpiperidine-1-carbonyl)-propan-2-ylamino]acetic acid (CID 61189877) is 2-[(2,6-dimethylpiperidine-1-carbonyl)-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(2,6-dimethylpiperidine-1-carbonyl)-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(2,6-dimethylpiperidine-1-carbonyl)-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)C(=O)N1C(C)CCCC1C.
What is the InChIKey of 2-[(2,6-dimethylpiperidine-1-carbonyl)-propan-2-ylamino]acetic acid?
The InChIKey is YGFRJKIVJHCMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9(2)14(8-12(16)17)13(18)15-10(3)6-5-7-11(15)4/h9-11H,5-8H2,1-4H3,(H,16,17).
What are the key properties of 2-[(2,6-dimethylpiperidine-1-carbonyl)-propan-2-ylamino]acetic acid?
2-[(2,6-dimethylpiperidine-1-carbonyl)-propan-2-ylamino]acetic acid has a molecular weight of 256.35 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylpiperidine-1-carbonyl)-propan-2-ylamino]acetic acid is sourced from PubChem (CID 61189877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).