4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;phenylmethanamine

C18H28N2O5 — CID 67241177

IUPAC4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;phenylmethanamine
SMILESCC(C)(C)OC(=O)N1CCC(O)CC1C(=O)O.NCc1ccccc1
InChIInChI=1S/C11H19NO5.C7H9N/c1-11(2,3)17-10(16)12-5-4-7(13)6-8(12)9(14)15;8-6-7-4-2-1-3-5-7/h7-8,13H,4-6H2,1-3H3,(H,14,15);1-5H,6,8H2
InChIKeyQMLALKYUTWPCAI-UHFFFAOYSA-N
MW352.43 g/mol
LogP1.98
Rot. Bonds2

About 4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;phenylmethanamine

4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;phenylmethanamine (PubChem CID 67241177) has the molecular formula C18H28N2O5 and a molecular weight of 352.43 g/mol. Its IUPAC name is 4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;phenylmethanamine.

Molecular Properties

Compound Name4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;phenylmethanamine
PubChem CID67241177
Molecular FormulaC18H28N2O5
Molecular Weight352.43 g/mol
Exact Mass352.20
IUPAC Name4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;phenylmethanamine
SMILESCC(C)(C)OC(=O)N1CCC(O)CC1C(=O)O.NCc1ccccc1
InChIInChI=1S/C11H19NO5.C7H9N/c1-11(2,3)17-10(16)12-5-4-7(13)6-8(12)9(14)15;8-6-7-4-2-1-3-5-7/h7-8,13H,4-6H2,1-3H3,(H,14,15);1-5H,6,8H2
InChIKeyQMLALKYUTWPCAI-UHFFFAOYSA-N
XLogP1.98
TPSA113.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-2-carboxylic acid
CID 45073940
2-O-benzyl 1-O-tert-butyl (2R)-azetidine-1,2-dicarboxylate
CID 150439110
tert-butyl 2-[(benzylamino)methyl]-4-hydroxypiperidine-1-carboxylate
CID 174824073
1-O-tert-butyl 2-O-methyl (2R,4S)-4-hydroxypiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-hydroxypiperidine-1,2-dicarboxylate
CID 172878152
(4R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 58822358
(2S,4S)-4-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 11012191
tert-butyl (2R)-2-(phenylmethoxycarbamoyl)azetidine-1-carboxylate
CID 87540100
tert-butyl (2S)-2-benzoylazetidine-1-carboxylate
CID 137368495
2-O-benzyl 1-O-tert-butyl (2R)-piperidine-1,2-dicarboxylate
CID 58030139
(2R,4S)-4-tert-butyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid
CID 15485548
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-phenylmethoxypyrrolidine-2-carboxylic acid
CID 22840073
1-[(2-methylpropan-2-yl)oxycarbonyl]-3-phenylmethoxypyrrolidine-2-carboxylic acid
CID 21290216

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;phenylmethanamine?
The IUPAC name of 4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;phenylmethanamine (CID 67241177) is 4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;phenylmethanamine.
What is the SMILES notation for 4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;phenylmethanamine?
The canonical SMILES for 4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;phenylmethanamine is CC(C)(C)OC(=O)N1CCC(O)CC1C(=O)O.NCc1ccccc1.
What is the InChIKey of 4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;phenylmethanamine?
The InChIKey is QMLALKYUTWPCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5.C7H9N/c1-11(2,3)17-10(16)12-5-4-7(13)6-8(12)9(14)15;8-6-7-4-2-1-3-5-7/h7-8,13H,4-6H2,1-3H3,(H,14,15);1-5H,6,8H2.
What are the key properties of 4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;phenylmethanamine?
4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;phenylmethanamine has a molecular weight of 352.43 g/mol, XLogP of 1.98, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;phenylmethanamine is sourced from PubChem (CID 67241177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).