tert-butyl-[(2R)-1-hydroxypent-4-en-2-yl]carbamic acid

C10H19NO3 — CID 89414329

IUPACtert-butyl-[(2R)-1-hydroxypent-4-en-2-yl]carbamic acid
SMILESC=CC[C@H](CO)N(C(=O)O)C(C)(C)C
InChIInChI=1S/C10H19NO3/c1-5-6-8(7-12)11(9(13)14)10(2,3)4/h5,8,12H,1,6-7H2,2-4H3,(H,13,14)/t8-/m1/s1
InChIKeyUNQFKUOSGQLCLE-MRVPVSSYSA-N
MW201.27 g/mol
LogP1.70
Rot. Bonds4

About tert-butyl-[(2R)-1-hydroxypent-4-en-2-yl]carbamic acid

tert-butyl-[(2R)-1-hydroxypent-4-en-2-yl]carbamic acid (PubChem CID 89414329) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is tert-butyl-[(2R)-1-hydroxypent-4-en-2-yl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[(2R)-1-hydroxypent-4-en-2-yl]carbamic acid
PubChem CID89414329
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nametert-butyl-[(2R)-1-hydroxypent-4-en-2-yl]carbamic acid
SMILESC=CC[C@H](CO)N(C(=O)O)C(C)(C)C
InChIInChI=1S/C10H19NO3/c1-5-6-8(7-12)11(9(13)14)10(2,3)4/h5,8,12H,1,6-7H2,2-4H3,(H,13,14)/t8-/m1/s1
InChIKeyUNQFKUOSGQLCLE-MRVPVSSYSA-N
XLogP1.70
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

CID 121226733
CID 121226733
CID 10966790
CID 10966790
CID 121221358
CID 121221358
CID 71627446
CID 71627446
CID 71627468
CID 71627468
CID 86676230
CID 86676230
CID 88078371
CID 88078371
CID 89312299
CID 89312299
CID 89414330
CID 89414330
CID 90419699
CID 90419699
CID 121293401
CID 121293401
CID 121293402
CID 121293402

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R)-1-hydroxypent-4-en-2-yl]carbamic acid?
The IUPAC name of tert-butyl-[(2R)-1-hydroxypent-4-en-2-yl]carbamic acid (CID 89414329) is tert-butyl-[(2R)-1-hydroxypent-4-en-2-yl]carbamic acid.
What is the SMILES notation for tert-butyl-[(2R)-1-hydroxypent-4-en-2-yl]carbamic acid?
The canonical SMILES for tert-butyl-[(2R)-1-hydroxypent-4-en-2-yl]carbamic acid is C=CC[C@H](CO)N(C(=O)O)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R)-1-hydroxypent-4-en-2-yl]carbamic acid?
The InChIKey is UNQFKUOSGQLCLE-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-5-6-8(7-12)11(9(13)14)10(2,3)4/h5,8,12H,1,6-7H2,2-4H3,(H,13,14)/t8-/m1/s1.
What are the key properties of tert-butyl-[(2R)-1-hydroxypent-4-en-2-yl]carbamic acid?
tert-butyl-[(2R)-1-hydroxypent-4-en-2-yl]carbamic acid has a molecular weight of 201.27 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R)-1-hydroxypent-4-en-2-yl]carbamic acid is sourced from PubChem (CID 89414329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).