[(3S,4S)-1-(2-methoxyacetyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamic acid

C14H25N3O6 — CID 69015121

IUPAC[(3S,4S)-1-(2-methoxyacetyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamic acid
SMILESCOCC(=O)N1CC[C@H](NC(=O)O)[C@@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H25N3O6/c1-14(2,3)23-13(21)16-10-7-17(11(18)8-22-4)6-5-9(10)15-12(19)20/h9-10,15H,5-8H2,1-4H3,(H,16,21)(H,19,20)/t9-,10-/m0/s1
InChIKeyRFBMOIVHHAYKHL-UWVGGRQHSA-N
MW331.37 g/mol
LogP0.39
Rot. Bonds4

About [(3S,4S)-1-(2-methoxyacetyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamic acid

[(3S,4S)-1-(2-methoxyacetyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamic acid (PubChem CID 69015121) has the molecular formula C14H25N3O6 and a molecular weight of 331.37 g/mol. Its IUPAC name is [(3S,4S)-1-(2-methoxyacetyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[(3S,4S)-1-(2-methoxyacetyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamic acid
PubChem CID69015121
Molecular FormulaC14H25N3O6
Molecular Weight331.37 g/mol
Exact Mass331.17
IUPAC Name[(3S,4S)-1-(2-methoxyacetyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamic acid
SMILESCOCC(=O)N1CC[C@H](NC(=O)O)[C@@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H25N3O6/c1-14(2,3)23-13(21)16-10-7-17(11(18)8-22-4)6-5-9(10)15-12(19)20/h9-10,15H,5-8H2,1-4H3,(H,16,21)(H,19,20)/t9-,10-/m0/s1
InChIKeyRFBMOIVHHAYKHL-UWVGGRQHSA-N
XLogP0.39
TPSA117.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [(3S,4S)-1-(2-methoxyacetyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamic acid with MolForge

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Related Compounds

tert-butyl N-[(3R,4S)-1-(2-methoxyacetyl)-4-[[2-(4-methylanilino)-2-oxoacetyl]amino]piperidin-3-yl]carbamate
CID 142197882
3-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
CID 139434729
(3R)-4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
CID 175542895
(3R,4S)-4-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
CID 91362762
tert-butyl N-[(3R,4S)-1-(2-cyclopentylacetyl)-3-methylpiperidin-4-yl]carbamate
CID 95775102
2-methoxy-1-[3-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 114498163
(3R,4S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(phenylmethoxycarbonylamino)piperidine-1-carboxylic acid
CID 91321164
tert-butyl (3S)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 130735515
tert-butyl N-[(3S)-1-(4-methoxybutanoyl)pyrrolidin-3-yl]carbamate
CID 171063625
[(3S,4R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamic acid
CID 69017541
1-(3,4-dimethylpiperidin-1-yl)-2-methoxyethanone
CID 115871790
4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-4-oxobutanoic acid
CID 25250198

Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-1-(2-methoxyacetyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamic acid?
The IUPAC name of [(3S,4S)-1-(2-methoxyacetyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamic acid (CID 69015121) is [(3S,4S)-1-(2-methoxyacetyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamic acid.
What is the SMILES notation for [(3S,4S)-1-(2-methoxyacetyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamic acid?
The canonical SMILES for [(3S,4S)-1-(2-methoxyacetyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamic acid is COCC(=O)N1CC[C@H](NC(=O)O)[C@@H](NC(=O)OC(C)(C)C)C1.
What is the InChIKey of [(3S,4S)-1-(2-methoxyacetyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamic acid?
The InChIKey is RFBMOIVHHAYKHL-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H25N3O6/c1-14(2,3)23-13(21)16-10-7-17(11(18)8-22-4)6-5-9(10)15-12(19)20/h9-10,15H,5-8H2,1-4H3,(H,16,21)(H,19,20)/t9-,10-/m0/s1.
What are the key properties of [(3S,4S)-1-(2-methoxyacetyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamic acid?
[(3S,4S)-1-(2-methoxyacetyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamic acid has a molecular weight of 331.37 g/mol, XLogP of 0.39, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-1-(2-methoxyacetyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamic acid is sourced from PubChem (CID 69015121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).