tert-butyl-[(3R)-3-(hydroxymethyl)pent-1-en-3-yl]carbamic acid

C11H21NO3 — CID 45092224

IUPACtert-butyl-[(3R)-3-(hydroxymethyl)pent-1-en-3-yl]carbamic acid
SMILESC=C[C@](CC)(CO)N(C(=O)O)C(C)(C)C
InChIInChI=1S/C11H21NO3/c1-6-11(7-2,8-13)12(9(14)15)10(3,4)5/h6,13H,1,7-8H2,2-5H3,(H,14,15)/t11-/m0/s1
InChIKeyFMRMUWKFXBWRRY-NSHDSACASA-N
MW215.29 g/mol
LogP2.09
Rot. Bonds4

About tert-butyl-[(3R)-3-(hydroxymethyl)pent-1-en-3-yl]carbamic acid

tert-butyl-[(3R)-3-(hydroxymethyl)pent-1-en-3-yl]carbamic acid (PubChem CID 45092224) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is tert-butyl-[(3R)-3-(hydroxymethyl)pent-1-en-3-yl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[(3R)-3-(hydroxymethyl)pent-1-en-3-yl]carbamic acid
PubChem CID45092224
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametert-butyl-[(3R)-3-(hydroxymethyl)pent-1-en-3-yl]carbamic acid
SMILESC=C[C@](CC)(CO)N(C(=O)O)C(C)(C)C
InChIInChI=1S/C11H21NO3/c1-6-11(7-2,8-13)12(9(14)15)10(3,4)5/h6,13H,1,7-8H2,2-5H3,(H,14,15)/t11-/m0/s1
InChIKeyFMRMUWKFXBWRRY-NSHDSACASA-N
XLogP2.09
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3R)-3-(hydroxymethyl)pent-1-en-3-yl]carbamic acid?
The IUPAC name of tert-butyl-[(3R)-3-(hydroxymethyl)pent-1-en-3-yl]carbamic acid (CID 45092224) is tert-butyl-[(3R)-3-(hydroxymethyl)pent-1-en-3-yl]carbamic acid.
What is the SMILES notation for tert-butyl-[(3R)-3-(hydroxymethyl)pent-1-en-3-yl]carbamic acid?
The canonical SMILES for tert-butyl-[(3R)-3-(hydroxymethyl)pent-1-en-3-yl]carbamic acid is C=C[C@](CC)(CO)N(C(=O)O)C(C)(C)C.
What is the InChIKey of tert-butyl-[(3R)-3-(hydroxymethyl)pent-1-en-3-yl]carbamic acid?
The InChIKey is FMRMUWKFXBWRRY-NSHDSACASA-N. The full InChI is InChI=1S/C11H21NO3/c1-6-11(7-2,8-13)12(9(14)15)10(3,4)5/h6,13H,1,7-8H2,2-5H3,(H,14,15)/t11-/m0/s1.
What are the key properties of tert-butyl-[(3R)-3-(hydroxymethyl)pent-1-en-3-yl]carbamic acid?
tert-butyl-[(3R)-3-(hydroxymethyl)pent-1-en-3-yl]carbamic acid has a molecular weight of 215.29 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3R)-3-(hydroxymethyl)pent-1-en-3-yl]carbamic acid is sourced from PubChem (CID 45092224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).