tert-butyl-[(1S,4S)-4-hydroxycyclopent-2-en-1-yl]carbamic acid

C10H17NO3 — CID 45091928

IUPACtert-butyl-[(1S,4S)-4-hydroxycyclopent-2-en-1-yl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)[C@@H]1C=C[C@@H](O)C1
InChIInChI=1S/C10H17NO3/c1-10(2,3)11(9(13)14)7-4-5-8(12)6-7/h4-5,7-8,12H,6H2,1-3H3,(H,13,14)/t7-,8-/m1/s1
InChIKeySLOKFEKQKQXOKB-HTQZYQBOSA-N
MW199.25 g/mol
LogP1.45
Rot. Bonds1

About tert-butyl-[(1S,4S)-4-hydroxycyclopent-2-en-1-yl]carbamic acid

tert-butyl-[(1S,4S)-4-hydroxycyclopent-2-en-1-yl]carbamic acid (PubChem CID 45091928) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is tert-butyl-[(1S,4S)-4-hydroxycyclopent-2-en-1-yl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[(1S,4S)-4-hydroxycyclopent-2-en-1-yl]carbamic acid
PubChem CID45091928
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nametert-butyl-[(1S,4S)-4-hydroxycyclopent-2-en-1-yl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)[C@@H]1C=C[C@@H](O)C1
InChIInChI=1S/C10H17NO3/c1-10(2,3)11(9(13)14)7-4-5-8(12)6-7/h4-5,7-8,12H,6H2,1-3H3,(H,13,14)/t7-,8-/m1/s1
InChIKeySLOKFEKQKQXOKB-HTQZYQBOSA-N
XLogP1.45
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.45
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-[(1S,4S)-4-hydroxycyclopent-2-en-1-yl]carbamic acid?
The IUPAC name of tert-butyl-[(1S,4S)-4-hydroxycyclopent-2-en-1-yl]carbamic acid (CID 45091928) is tert-butyl-[(1S,4S)-4-hydroxycyclopent-2-en-1-yl]carbamic acid.
What is the SMILES notation for tert-butyl-[(1S,4S)-4-hydroxycyclopent-2-en-1-yl]carbamic acid?
The canonical SMILES for tert-butyl-[(1S,4S)-4-hydroxycyclopent-2-en-1-yl]carbamic acid is CC(C)(C)N(C(=O)O)[C@@H]1C=C[C@@H](O)C1.
What is the InChIKey of tert-butyl-[(1S,4S)-4-hydroxycyclopent-2-en-1-yl]carbamic acid?
The InChIKey is SLOKFEKQKQXOKB-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H17NO3/c1-10(2,3)11(9(13)14)7-4-5-8(12)6-7/h4-5,7-8,12H,6H2,1-3H3,(H,13,14)/t7-,8-/m1/s1.
What are the key properties of tert-butyl-[(1S,4S)-4-hydroxycyclopent-2-en-1-yl]carbamic acid?
tert-butyl-[(1S,4S)-4-hydroxycyclopent-2-en-1-yl]carbamic acid has a molecular weight of 199.25 g/mol, XLogP of 1.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S,4S)-4-hydroxycyclopent-2-en-1-yl]carbamic acid is sourced from PubChem (CID 45091928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).