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

C10H19NO3 — CID 89414330

IUPACtert-butyl(1-hydroxypent-4-en-2-yl)carbamic acid
SMILESC=CCC(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)
InChIKeyUNQFKUOSGQLCLE-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.70
Rot. Bonds4

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

tert-butyl(1-hydroxypent-4-en-2-yl)carbamic acid (PubChem CID 89414330) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is tert-butyl(1-hydroxypent-4-en-2-yl)carbamic acid.

Molecular Properties

Compound Nametert-butyl(1-hydroxypent-4-en-2-yl)carbamic acid
PubChem CID89414330
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nametert-butyl(1-hydroxypent-4-en-2-yl)carbamic acid
SMILESC=CCC(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)
InChIKeyUNQFKUOSGQLCLE-UHFFFAOYSA-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

tert-butyl-[(E)-4-fluoro-1-hydroxybut-3-en-2-yl]carbamic acid
CID 121226733
methyl N-(1-hydroxypent-4-en-2-yl)-N-(trimethylsilylmethyl)carbamate
CID 10966790
methyl N-hex-5-en-3-yl-N-(3-hydroxypropyl)carbamate
CID 121221358
tert-butyl-[(2R)-1-hydroxybut-3-en-2-yl]carbamic acid
CID 71627446
tert-butyl-[(2S)-1-hydroxybut-3-en-2-yl]carbamic acid
CID 71627468
Tert-butyl [1-(hydroxymethyl)but-3-en-1-yl]prop-2-en-1-ylcarbamate
CID 86676230
Tert-butyl-(1-hydroxy-4-methylpent-4-en-2-yl)carbamic acid
CID 88078371
1-Hydroxypent-4-en-2-yl(prop-2-enyl)carbamic acid
CID 89312299
tert-butyl-[(2R)-1-hydroxypent-4-en-2-yl]carbamic acid
CID 89414329
N-tert-butyl-N-(1-hydroxybut-3-en-2-yl)formamide
CID 90419699
tert-butyl-[(3R)-5-hydroxypent-1-en-3-yl]carbamic acid
CID 121293401
Tert-butyl(5-hydroxypent-1-en-3-yl)carbamic acid
CID 121293402

Frequently Asked Questions

What is the IUPAC name of tert-butyl(1-hydroxypent-4-en-2-yl)carbamic acid?
The IUPAC name of tert-butyl(1-hydroxypent-4-en-2-yl)carbamic acid (CID 89414330) is tert-butyl(1-hydroxypent-4-en-2-yl)carbamic acid.
What is the SMILES notation for tert-butyl(1-hydroxypent-4-en-2-yl)carbamic acid?
The canonical SMILES for tert-butyl(1-hydroxypent-4-en-2-yl)carbamic acid is C=CCC(CO)N(C(=O)O)C(C)(C)C.
What is the InChIKey of tert-butyl(1-hydroxypent-4-en-2-yl)carbamic acid?
The InChIKey is UNQFKUOSGQLCLE-UHFFFAOYSA-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).
What are the key properties of tert-butyl(1-hydroxypent-4-en-2-yl)carbamic acid?
tert-butyl(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(1-hydroxypent-4-en-2-yl)carbamic acid is sourced from PubChem (CID 89414330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).