tert-butyl N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopropan-2-yl]carbamate

C19H32N2O5 — CID 11337625

IUPACtert-butyl N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopropan-2-yl]carbamate
SMILESC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C19H32N2O5/c1-12-16(15(22)11-25-12)21-17(23)14(10-13-8-6-5-7-9-13)20-18(24)26-19(2,3)4/h12-14,16H,5-11H2,1-4H3,(H,20,24)(H,21,23)/t12-,14-,16-/m0/s1
InChIKeyXNZPXNHZDSFFAR-NOLJZWGESA-N
MW368.47 g/mol
LogP2.32
Rot. Bonds5

About tert-butyl N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopropan-2-yl]carbamate

tert-butyl N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopropan-2-yl]carbamate (PubChem CID 11337625) has the molecular formula C19H32N2O5 and a molecular weight of 368.47 g/mol. Its IUPAC name is tert-butyl N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopropan-2-yl]carbamate
PubChem CID11337625
Molecular FormulaC19H32N2O5
Molecular Weight368.47 g/mol
Exact Mass368.23
IUPAC Nametert-butyl N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopropan-2-yl]carbamate
SMILESC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C19H32N2O5/c1-12-16(15(22)11-25-12)21-17(23)14(10-13-8-6-5-7-9-13)20-18(24)26-19(2,3)4/h12-14,16H,5-11H2,1-4H3,(H,20,24)(H,21,23)/t12-,14-,16-/m0/s1
InChIKeyXNZPXNHZDSFFAR-NOLJZWGESA-N
XLogP2.32
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopropan-2-yl]carbamate (CID 11337625) is tert-butyl N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopropan-2-yl]carbamate is C[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopropan-2-yl]carbamate?
The InChIKey is XNZPXNHZDSFFAR-NOLJZWGESA-N. The full InChI is InChI=1S/C19H32N2O5/c1-12-16(15(22)11-25-12)21-17(23)14(10-13-8-6-5-7-9-13)20-18(24)26-19(2,3)4/h12-14,16H,5-11H2,1-4H3,(H,20,24)(H,21,23)/t12-,14-,16-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopropan-2-yl]carbamate?
tert-butyl N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopropan-2-yl]carbamate has a molecular weight of 368.47 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 11337625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).