N-[2-[(2S,5R,6S)-6-(hydroxymethyl)-5-(propan-2-ylcarbamoylamino)oxan-2-yl]ethyl]cyclopropanecarboxamide

C16H29N3O4 — CID 54644908

IUPACN-[2-[(2S,5R,6S)-6-(hydroxymethyl)-5-(propan-2-ylcarbamoylamino)oxan-2-yl]ethyl]cyclopropanecarboxamide
SMILESCC(C)NC(=O)N[C@@H]1CC[C@@H](CCNC(=O)C2CC2)O[C@@H]1CO
InChIInChI=1S/C16H29N3O4/c1-10(2)18-16(22)19-13-6-5-12(23-14(13)9-20)7-8-17-15(21)11-3-4-11/h10-14,20H,3-9H2,1-2H3,(H,17,21)(H2,18,19,22)/t12-,13+,14+/m0/s1
InChIKeyHEEHATNYTPMZPY-BFHYXJOUSA-N
MW327.43 g/mol
LogP0.52
Rot. Bonds7

About N-[2-[(2S,5R,6S)-6-(hydroxymethyl)-5-(propan-2-ylcarbamoylamino)oxan-2-yl]ethyl]cyclopropanecarboxamide

N-[2-[(2S,5R,6S)-6-(hydroxymethyl)-5-(propan-2-ylcarbamoylamino)oxan-2-yl]ethyl]cyclopropanecarboxamide (PubChem CID 54644908) has the molecular formula C16H29N3O4 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[2-[(2S,5R,6S)-6-(hydroxymethyl)-5-(propan-2-ylcarbamoylamino)oxan-2-yl]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(2S,5R,6S)-6-(hydroxymethyl)-5-(propan-2-ylcarbamoylamino)oxan-2-yl]ethyl]cyclopropanecarboxamide
PubChem CID54644908
Molecular FormulaC16H29N3O4
Molecular Weight327.43 g/mol
Exact Mass327.22
IUPAC NameN-[2-[(2S,5R,6S)-6-(hydroxymethyl)-5-(propan-2-ylcarbamoylamino)oxan-2-yl]ethyl]cyclopropanecarboxamide
SMILESCC(C)NC(=O)N[C@@H]1CC[C@@H](CCNC(=O)C2CC2)O[C@@H]1CO
InChIInChI=1S/C16H29N3O4/c1-10(2)18-16(22)19-13-6-5-12(23-14(13)9-20)7-8-17-15(21)11-3-4-11/h10-14,20H,3-9H2,1-2H3,(H,17,21)(H2,18,19,22)/t12-,13+,14+/m0/s1
InChIKeyHEEHATNYTPMZPY-BFHYXJOUSA-N
XLogP0.52
TPSA99.69 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 50.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S,5R,6S)-6-(hydroxymethyl)-5-(propan-2-ylcarbamoylamino)oxan-2-yl]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(2S,5R,6S)-6-(hydroxymethyl)-5-(propan-2-ylcarbamoylamino)oxan-2-yl]ethyl]cyclopropanecarboxamide (CID 54644908) is N-[2-[(2S,5R,6S)-6-(hydroxymethyl)-5-(propan-2-ylcarbamoylamino)oxan-2-yl]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(2S,5R,6S)-6-(hydroxymethyl)-5-(propan-2-ylcarbamoylamino)oxan-2-yl]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(2S,5R,6S)-6-(hydroxymethyl)-5-(propan-2-ylcarbamoylamino)oxan-2-yl]ethyl]cyclopropanecarboxamide is CC(C)NC(=O)N[C@@H]1CC[C@@H](CCNC(=O)C2CC2)O[C@@H]1CO.
What is the InChIKey of N-[2-[(2S,5R,6S)-6-(hydroxymethyl)-5-(propan-2-ylcarbamoylamino)oxan-2-yl]ethyl]cyclopropanecarboxamide?
The InChIKey is HEEHATNYTPMZPY-BFHYXJOUSA-N. The full InChI is InChI=1S/C16H29N3O4/c1-10(2)18-16(22)19-13-6-5-12(23-14(13)9-20)7-8-17-15(21)11-3-4-11/h10-14,20H,3-9H2,1-2H3,(H,17,21)(H2,18,19,22)/t12-,13+,14+/m0/s1.
What are the key properties of N-[2-[(2S,5R,6S)-6-(hydroxymethyl)-5-(propan-2-ylcarbamoylamino)oxan-2-yl]ethyl]cyclopropanecarboxamide?
N-[2-[(2S,5R,6S)-6-(hydroxymethyl)-5-(propan-2-ylcarbamoylamino)oxan-2-yl]ethyl]cyclopropanecarboxamide has a molecular weight of 327.43 g/mol, XLogP of 0.52, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S,5R,6S)-6-(hydroxymethyl)-5-(propan-2-ylcarbamoylamino)oxan-2-yl]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 54644908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).