5-carbamoyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid

C12H20N2O5 — CID 165453989

IUPAC5-carbamoyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CC(C(N)=O)CCC1C(=O)O
InChIInChI=1S/C12H20N2O5/c1-12(2,3)19-11(18)14-6-7(9(13)15)4-5-8(14)10(16)17/h7-8H,4-6H2,1-3H3,(H2,13,15)(H,16,17)
InChIKeyQBCPOVRKCFGQKY-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.57
Rot. Bonds2

About 5-carbamoyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid

5-carbamoyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid (PubChem CID 165453989) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 5-carbamoyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name5-carbamoyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
PubChem CID165453989
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name5-carbamoyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CC(C(N)=O)CCC1C(=O)O
InChIInChI=1S/C12H20N2O5/c1-12(2,3)19-11(18)14-6-7(9(13)15)4-5-8(14)10(16)17/h7-8H,4-6H2,1-3H3,(H2,13,15)(H,16,17)
InChIKeyQBCPOVRKCFGQKY-UHFFFAOYSA-N
XLogP0.57
TPSA109.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,5S)-5-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 66776878
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]aziridine-2-carboxylic acid
CID 53482071
(2S,5S)-5-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 135393430
(2S)-1-tert-butoxycarbonylaziridine-2-carboxylic acid;lithium salt
CID 156758166
4-acetyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 139024027
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 688617
(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 10537428
1-[(2-methylpropan-2-yl)oxycarbonyl]azepane-2-carboxylic acid
CID 3292084
tert-butyl (2S,4S)-4-amino-2-carbamoylpyrrolidine-1-carboxylate
CID 21308807
tert-butyl (2R)-2-carbamoyl-5-methylsulfanylpiperidine-1-carboxylate
CID 155245632
(4S)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 66848111
(4S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazinane-4-carboxylic acid
CID 91664287

Frequently Asked Questions

What is the IUPAC name of 5-carbamoyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid?
The IUPAC name of 5-carbamoyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid (CID 165453989) is 5-carbamoyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 5-carbamoyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid?
The canonical SMILES for 5-carbamoyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid is CC(C)(C)OC(=O)N1CC(C(N)=O)CCC1C(=O)O.
What is the InChIKey of 5-carbamoyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid?
The InChIKey is QBCPOVRKCFGQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-12(2,3)19-11(18)14-6-7(9(13)15)4-5-8(14)10(16)17/h7-8H,4-6H2,1-3H3,(H2,13,15)(H,16,17).
What are the key properties of 5-carbamoyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid?
5-carbamoyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbamoyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 165453989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).