2-[(2R)-1-[2-(dimethylcarbamoylamino)acetyl]piperidin-2-yl]acetic acid

C12H21N3O4 — CID 126443322

IUPAC2-[(2R)-1-[2-(dimethylcarbamoylamino)acetyl]piperidin-2-yl]acetic acid
SMILESCN(C)C(=O)NCC(=O)N1CCCC[C@@H]1CC(=O)O
InChIInChI=1S/C12H21N3O4/c1-14(2)12(19)13-8-10(16)15-6-4-3-5-9(15)7-11(17)18/h9H,3-8H2,1-2H3,(H,13,19)(H,17,18)/t9-/m1/s1
InChIKeySPPQUNNYXFXODU-SECBINFHSA-N
MW271.32 g/mol
LogP0.11
Rot. Bonds4

About 2-[(2R)-1-[2-(dimethylcarbamoylamino)acetyl]piperidin-2-yl]acetic acid

2-[(2R)-1-[2-(dimethylcarbamoylamino)acetyl]piperidin-2-yl]acetic acid (PubChem CID 126443322) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[(2R)-1-[2-(dimethylcarbamoylamino)acetyl]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-1-[2-(dimethylcarbamoylamino)acetyl]piperidin-2-yl]acetic acid
PubChem CID126443322
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name2-[(2R)-1-[2-(dimethylcarbamoylamino)acetyl]piperidin-2-yl]acetic acid
SMILESCN(C)C(=O)NCC(=O)N1CCCC[C@@H]1CC(=O)O
InChIInChI=1S/C12H21N3O4/c1-14(2)12(19)13-8-10(16)15-6-4-3-5-9(15)7-11(17)18/h9H,3-8H2,1-2H3,(H,13,19)(H,17,18)/t9-/m1/s1
InChIKeySPPQUNNYXFXODU-SECBINFHSA-N
XLogP0.11
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-(dimethylcarbamoylamino)ethylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 83114337
2-[1-[2-[acetyl(methyl)amino]acetyl]piperidin-2-yl]acetic acid
CID 54899944
2-(1-butanoylpiperidin-2-yl)acetic acid
CID 61010375
2-[1-(2-methylprop-2-enylcarbamoyl)piperidin-2-yl]acetic acid
CID 114618094
2-[(2R)-1-[3-(4-methylpiperazin-1-yl)propanoyl]piperidin-2-yl]acetic acid
CID 126423639
2-[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]acetic acid
CID 61370257
2-[1-(tert-butylcarbamoyl)piperidin-2-yl]acetic acid
CID 61010694
2-[1-[cyclohexylmethyl(methyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61444100
2-[1-(butylcarbamoyl)piperidin-2-yl]acetic acid
CID 61010692
2-[1-[(1-methylcyclopropyl)methylcarbamoyl]piperidin-2-yl]acetic acid
CID 114101416
2-[1-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]piperidin-2-yl]acetic acid
CID 115356753
2-(ethylamino)-1-(2-ethylpiperidin-1-yl)ethanone
CID 60686637

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[2-(dimethylcarbamoylamino)acetyl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[(2R)-1-[2-(dimethylcarbamoylamino)acetyl]piperidin-2-yl]acetic acid (CID 126443322) is 2-[(2R)-1-[2-(dimethylcarbamoylamino)acetyl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-1-[2-(dimethylcarbamoylamino)acetyl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[(2R)-1-[2-(dimethylcarbamoylamino)acetyl]piperidin-2-yl]acetic acid is CN(C)C(=O)NCC(=O)N1CCCC[C@@H]1CC(=O)O.
What is the InChIKey of 2-[(2R)-1-[2-(dimethylcarbamoylamino)acetyl]piperidin-2-yl]acetic acid?
The InChIKey is SPPQUNNYXFXODU-SECBINFHSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-14(2)12(19)13-8-10(16)15-6-4-3-5-9(15)7-11(17)18/h9H,3-8H2,1-2H3,(H,13,19)(H,17,18)/t9-/m1/s1.
What are the key properties of 2-[(2R)-1-[2-(dimethylcarbamoylamino)acetyl]piperidin-2-yl]acetic acid?
2-[(2R)-1-[2-(dimethylcarbamoylamino)acetyl]piperidin-2-yl]acetic acid has a molecular weight of 271.32 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[2-(dimethylcarbamoylamino)acetyl]piperidin-2-yl]acetic acid is sourced from PubChem (CID 126443322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).