tert-butyl N-hydroxy-N-[(2S)-1-hydroxypent-4-en-2-yl]carbamate

C10H19NO4 — CID 162406608

IUPACtert-butyl N-hydroxy-N-[(2S)-1-hydroxypent-4-en-2-yl]carbamate
SMILESC=CC[C@@H](CO)N(O)C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO4/c1-5-6-8(7-12)11(14)9(13)15-10(2,3)4/h5,8,12,14H,1,6-7H2,2-4H3/t8-/m0/s1
InChIKeyPDYHWMUVDSZTBF-QMMMGPOBSA-N
MW217.26 g/mol
LogP1.55
Rot. Bonds4

About tert-butyl N-hydroxy-N-[(2S)-1-hydroxypent-4-en-2-yl]carbamate

tert-butyl N-hydroxy-N-[(2S)-1-hydroxypent-4-en-2-yl]carbamate (PubChem CID 162406608) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is tert-butyl N-hydroxy-N-[(2S)-1-hydroxypent-4-en-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-hydroxy-N-[(2S)-1-hydroxypent-4-en-2-yl]carbamate
PubChem CID162406608
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Nametert-butyl N-hydroxy-N-[(2S)-1-hydroxypent-4-en-2-yl]carbamate
SMILESC=CC[C@@H](CO)N(O)C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO4/c1-5-6-8(7-12)11(14)9(13)15-10(2,3)4/h5,8,12,14H,1,6-7H2,2-4H3/t8-/m0/s1
InChIKeyPDYHWMUVDSZTBF-QMMMGPOBSA-N
XLogP1.55
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-hydroxy-N-[(2S)-1-hydroxypent-4-en-2-yl]carbamate?
The IUPAC name of tert-butyl N-hydroxy-N-[(2S)-1-hydroxypent-4-en-2-yl]carbamate (CID 162406608) is tert-butyl N-hydroxy-N-[(2S)-1-hydroxypent-4-en-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-hydroxy-N-[(2S)-1-hydroxypent-4-en-2-yl]carbamate?
The canonical SMILES for tert-butyl N-hydroxy-N-[(2S)-1-hydroxypent-4-en-2-yl]carbamate is C=CC[C@@H](CO)N(O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-hydroxy-N-[(2S)-1-hydroxypent-4-en-2-yl]carbamate?
The InChIKey is PDYHWMUVDSZTBF-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H19NO4/c1-5-6-8(7-12)11(14)9(13)15-10(2,3)4/h5,8,12,14H,1,6-7H2,2-4H3/t8-/m0/s1.
What are the key properties of tert-butyl N-hydroxy-N-[(2S)-1-hydroxypent-4-en-2-yl]carbamate?
tert-butyl N-hydroxy-N-[(2S)-1-hydroxypent-4-en-2-yl]carbamate has a molecular weight of 217.26 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-hydroxy-N-[(2S)-1-hydroxypent-4-en-2-yl]carbamate is sourced from PubChem (CID 162406608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).