1-[2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]acetyl]piperidine-4-carboxylic acid

C12H22N2O5 — CID 103261509

IUPAC1-[2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]acetyl]piperidine-4-carboxylic acid
SMILESCC(CO)(CO)NCC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C12H22N2O5/c1-12(7-15,8-16)13-6-10(17)14-4-2-9(3-5-14)11(18)19/h9,13,15-16H,2-8H2,1H3,(H,18,19)
InChIKeyMSHZEABEFJTJGL-UHFFFAOYSA-N
MW274.32 g/mol
LogP-1.36
Rot. Bonds6

About 1-[2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]acetyl]piperidine-4-carboxylic acid

1-[2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]acetyl]piperidine-4-carboxylic acid (PubChem CID 103261509) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-[2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]acetyl]piperidine-4-carboxylic acid
PubChem CID103261509
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name1-[2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]acetyl]piperidine-4-carboxylic acid
SMILESCC(CO)(CO)NCC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C12H22N2O5/c1-12(7-15,8-16)13-6-10(17)14-4-2-9(3-5-14)11(18)19/h9,13,15-16H,2-8H2,1H3,(H,18,19)
InChIKeyMSHZEABEFJTJGL-UHFFFAOYSA-N
XLogP-1.36
TPSA110.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 5-1.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(1-hydroxy-3-methylpentan-3-yl)amino]acetyl]piperidine-4-carboxylic acid
CID 106178157
1-[2-(2-methylbut-3-yn-2-ylamino)acetyl]piperidine-4-carboxylic acid
CID 103252086
1-[2-[[2-(methylamino)-2-oxoethyl]amino]acetyl]piperidine-4-carboxylic acid
CID 103237505
1-[2-[(2-methoxy-2-oxoethyl)amino]acetyl]piperidine-4-carboxylic acid
CID 103231226
1-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]piperidine-4-carboxylic acid
CID 103239210
1-[2-(2-methylpropylamino)acetyl]piperidine-4-carboxylic acid
CID 103869483
1-[2-(4-methylpent-1-yn-3-ylamino)acetyl]piperidine-4-carboxylic acid
CID 114202670
2-(3-methylpentan-3-ylamino)-1-piperidin-1-ylethanone
CID 103746610
1-[2-(1-methylsulfinylpropan-2-ylamino)acetyl]piperidine-4-carboxylic acid
CID 103264123
1-[2-[(1-ethoxy-1-oxopropan-2-yl)amino]acetyl]piperidine-4-carboxylic acid
CID 103245253
1-[2-[(2-ethyl-4-hydroxybutyl)amino]acetyl]piperidine-4-carboxylic acid
CID 103259024
1-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]acetyl]piperidine-4-carboxylic acid
CID 114154411

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]acetyl]piperidine-4-carboxylic acid (CID 103261509) is 1-[2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]acetyl]piperidine-4-carboxylic acid is CC(CO)(CO)NCC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]acetyl]piperidine-4-carboxylic acid?
The InChIKey is MSHZEABEFJTJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-12(7-15,8-16)13-6-10(17)14-4-2-9(3-5-14)11(18)19/h9,13,15-16H,2-8H2,1H3,(H,18,19).
What are the key properties of 1-[2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]acetyl]piperidine-4-carboxylic acid?
1-[2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]acetyl]piperidine-4-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of -1.36, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 103261509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).