4-hydroxybutyl 2-(propan-2-yloxycarbonylamino)acetate

C10H19NO5 — CID 126736458

IUPAC4-hydroxybutyl 2-(propan-2-yloxycarbonylamino)acetate
SMILESCC(C)OC(=O)NCC(=O)OCCCCO
InChIInChI=1S/C10H19NO5/c1-8(2)16-10(14)11-7-9(13)15-6-4-3-5-12/h8,12H,3-7H2,1-2H3,(H,11,14)
InChIKeyOMUUDSDEYNPQRG-UHFFFAOYSA-N
MW233.26 g/mol
LogP0.44
Rot. Bonds7

About 4-hydroxybutyl 2-(propan-2-yloxycarbonylamino)acetate

4-hydroxybutyl 2-(propan-2-yloxycarbonylamino)acetate (PubChem CID 126736458) has the molecular formula C10H19NO5 and a molecular weight of 233.26 g/mol. Its IUPAC name is 4-hydroxybutyl 2-(propan-2-yloxycarbonylamino)acetate.

Molecular Properties

Compound Name4-hydroxybutyl 2-(propan-2-yloxycarbonylamino)acetate
PubChem CID126736458
Molecular FormulaC10H19NO5
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Name4-hydroxybutyl 2-(propan-2-yloxycarbonylamino)acetate
SMILESCC(C)OC(=O)NCC(=O)OCCCCO
InChIInChI=1S/C10H19NO5/c1-8(2)16-10(14)11-7-9(13)15-6-4-3-5-12/h8,12H,3-7H2,1-2H3,(H,11,14)
InChIKeyOMUUDSDEYNPQRG-UHFFFAOYSA-N
XLogP0.44
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(propan-2-yloxycarbonylamino)acetyl]oxybutanoic acid
CID 126736416
pentyl 2-(butoxycarbonylamino)acetate
CID 6422768
4-methylpentyl 2-(2,2,2-trichloroethoxycarbonylamino)acetate
CID 6425234
butyl 2-(2-methylpropoxycarbonylamino)acetate
CID 6422793
hexyl 2-(ethoxycarbonylamino)acetate
CID 6421848
tridecyl 2-(ethoxycarbonylamino)acetate
CID 6421885
4-methylpentyl 2-(butoxycarbonylamino)acetate
CID 6422769
3-O-(16-hydroxyhexadecyl) 1-O-methyl propanedioate
CID 10546340
6-hydroxyhexyl 4-methylpentanoate
CID 87401580
12-hydroxydodecyl 2-methylpropanoate
CID 15120440
9-hydroxynonyl propanoate
CID 90020173
16-hydroxyhexadecyl 2-methylpropanoate
CID 134918438

Frequently Asked Questions

What is the IUPAC name of 4-hydroxybutyl 2-(propan-2-yloxycarbonylamino)acetate?
The IUPAC name of 4-hydroxybutyl 2-(propan-2-yloxycarbonylamino)acetate (CID 126736458) is 4-hydroxybutyl 2-(propan-2-yloxycarbonylamino)acetate.
What is the SMILES notation for 4-hydroxybutyl 2-(propan-2-yloxycarbonylamino)acetate?
The canonical SMILES for 4-hydroxybutyl 2-(propan-2-yloxycarbonylamino)acetate is CC(C)OC(=O)NCC(=O)OCCCCO.
What is the InChIKey of 4-hydroxybutyl 2-(propan-2-yloxycarbonylamino)acetate?
The InChIKey is OMUUDSDEYNPQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5/c1-8(2)16-10(14)11-7-9(13)15-6-4-3-5-12/h8,12H,3-7H2,1-2H3,(H,11,14).
What are the key properties of 4-hydroxybutyl 2-(propan-2-yloxycarbonylamino)acetate?
4-hydroxybutyl 2-(propan-2-yloxycarbonylamino)acetate has a molecular weight of 233.26 g/mol, XLogP of 0.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxybutyl 2-(propan-2-yloxycarbonylamino)acetate is sourced from PubChem (CID 126736458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).