2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)-propan-2-ylamino]acetic acid

C12H22N2O4 — CID 102961835

IUPAC2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)-propan-2-ylamino]acetic acid
SMILESCC1CCN(C(=O)N(CC(=O)O)C(C)C)CC1O
InChIInChI=1S/C12H22N2O4/c1-8(2)14(7-11(16)17)12(18)13-5-4-9(3)10(15)6-13/h8-10,15H,4-7H2,1-3H3,(H,16,17)
InChIKeyXIMKLEPBXQWVCE-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.60
Rot. Bonds3

About 2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)-propan-2-ylamino]acetic acid

2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)-propan-2-ylamino]acetic acid (PubChem CID 102961835) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)-propan-2-ylamino]acetic acid
PubChem CID102961835
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)-propan-2-ylamino]acetic acid
SMILESCC1CCN(C(=O)N(CC(=O)O)C(C)C)CC1O
InChIInChI=1S/C12H22N2O4/c1-8(2)14(7-11(16)17)12(18)13-5-4-9(3)10(15)6-13/h8-10,15H,4-7H2,1-3H3,(H,16,17)
InChIKeyXIMKLEPBXQWVCE-UHFFFAOYSA-N
XLogP0.60
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butan-2-yl-(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]acetic acid
CID 102961951
2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]-propan-2-ylamino]acetic acid
CID 64598633
N,N-diethyl-3-hydroxy-4-methylpiperidine-1-carboxamide
CID 103896864
2-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-propan-2-ylamino]acetic acid
CID 81474434
2-[(4-cyclopropylpiperazine-1-carbonyl)-propan-2-ylamino]acetic acid
CID 61443277
2-[3,6-dihydro-2H-pyridine-1-carbonyl(propan-2-yl)amino]acetic acid
CID 114411684
1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 103900653
(2R)-3-hydroxy-2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 102961873
3-[(3,4-dimethylpyrrolidine-1-carbonyl)-propan-2-ylamino]propanoic acid
CID 79181857
2-[(2,6-dimethylpiperidine-1-carbonyl)-propan-2-ylamino]acetic acid
CID 61189877
4-[ethyl-(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 102962016
2-[(3-hydroxypyrrolidine-1-carbonyl)-propylamino]acetic acid
CID 62944013

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)-propan-2-ylamino]acetic acid (CID 102961835) is 2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)-propan-2-ylamino]acetic acid is CC1CCN(C(=O)N(CC(=O)O)C(C)C)CC1O.
What is the InChIKey of 2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)-propan-2-ylamino]acetic acid?
The InChIKey is XIMKLEPBXQWVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-8(2)14(7-11(16)17)12(18)13-5-4-9(3)10(15)6-13/h8-10,15H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)-propan-2-ylamino]acetic acid?
2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)-propan-2-ylamino]acetic acid has a molecular weight of 258.32 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)-propan-2-ylamino]acetic acid is sourced from PubChem (CID 102961835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).