3-hydroxybutan-2-yl carbamate

C5H11NO3 — CID 20700654

IUPAC3-hydroxybutan-2-yl carbamate
SMILESCC(O)C(C)OC(N)=O
InChIInChI=1S/C5H11NO3/c1-3(7)4(2)9-5(6)8/h3-4,7H,1-2H3,(H2,6,8)
InChIKeyJVUMLXOYBYNFKE-UHFFFAOYSA-N
MW133.15 g/mol
LogP-0.15
Rot. Bonds2

About 3-hydroxybutan-2-yl carbamate

3-hydroxybutan-2-yl carbamate (PubChem CID 20700654) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 3-hydroxybutan-2-yl carbamate.

Molecular Properties

Compound Name3-hydroxybutan-2-yl carbamate
PubChem CID20700654
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Name3-hydroxybutan-2-yl carbamate
SMILESCC(O)C(C)OC(N)=O
InChIInChI=1S/C5H11NO3/c1-3(7)4(2)9-5(6)8/h3-4,7H,1-2H3,(H2,6,8)
InChIKeyJVUMLXOYBYNFKE-UHFFFAOYSA-N
XLogP-0.15
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxybutan-2-yl carbamate
CID 88788189
(3-carbamoyloxy-4-methylpentan-2-yl) carbamate
CID 140688379
(4-amino-3-hydroxy-4-iminobutan-2-yl) carbamate
CID 175155261
azane;propan-2-yl carbamate
CID 172769477
3-hydroxyhex-5-yn-2-yl carbamate
CID 175152503
(3R)-3-hydroxy-2-methylbutanamide
CID 134245367
[(2R)-3-methylbutan-2-yl] (2R)-2-hydroxypropanoate
CID 171574297
silver;propan-2-amine;propan-2-yl carbamate
CID 172719608
3-[3-[3-[3-[3-(3-hydroxybutan-2-yloxy)butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-ol
CID 21495812
3-hydroxybutan-2-yl N-methylcarbamate
CID 55286008
(1-fluoro-1-oxopropan-2-yl) carbamate
CID 118471736
3-[C-(3-hydroxybutan-2-yloxy)carbonimidoyl]oxybutan-2-ol
CID 90287697

Frequently Asked Questions

What is the IUPAC name of 3-hydroxybutan-2-yl carbamate?
The IUPAC name of 3-hydroxybutan-2-yl carbamate (CID 20700654) is 3-hydroxybutan-2-yl carbamate.
What is the SMILES notation for 3-hydroxybutan-2-yl carbamate?
The canonical SMILES for 3-hydroxybutan-2-yl carbamate is CC(O)C(C)OC(N)=O.
What is the InChIKey of 3-hydroxybutan-2-yl carbamate?
The InChIKey is JVUMLXOYBYNFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3/c1-3(7)4(2)9-5(6)8/h3-4,7H,1-2H3,(H2,6,8).
What are the key properties of 3-hydroxybutan-2-yl carbamate?
3-hydroxybutan-2-yl carbamate has a molecular weight of 133.15 g/mol, XLogP of -0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxybutan-2-yl carbamate is sourced from PubChem (CID 20700654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).