3-aminobutan-2-yl hydrogen carbonate

C5H11NO3 — CID 172831647

IUPAC3-aminobutan-2-yl hydrogen carbonate
SMILESCC(N)C(C)OC(=O)O
InChIInChI=1S/C5H11NO3/c1-3(6)4(2)9-5(7)8/h3-4H,6H2,1-2H3,(H,7,8)
InChIKeyDGOHJTMCQMCLNF-UHFFFAOYSA-N
MW133.15 g/mol
LogP0.42
Rot. Bonds2

About 3-aminobutan-2-yl hydrogen carbonate

3-aminobutan-2-yl hydrogen carbonate (PubChem CID 172831647) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 3-aminobutan-2-yl hydrogen carbonate.

Molecular Properties

Compound Name3-aminobutan-2-yl hydrogen carbonate
PubChem CID172831647
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Name3-aminobutan-2-yl hydrogen carbonate
SMILESCC(N)C(C)OC(=O)O
InChIInChI=1S/C5H11NO3/c1-3(6)4(2)9-5(7)8/h3-4H,6H2,1-2H3,(H,7,8)
InChIKeyDGOHJTMCQMCLNF-UHFFFAOYSA-N
XLogP0.42
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 ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-amine;propan-2-yl hydrogen carbonate
CID 173023636
3-chlorobutan-2-yl hydrogen carbonate
CID 18667716
(Z)-4-(3-aminobutan-2-yloxy)-4-oxobut-2-enoic acid
CID 88513418
(1-carboxyoxy-1-methoxypropan-2-yl) hydrogen carbonate
CID 87315353
(2S)-2-aminopropanoic acid
CID 18446182
(2R)-2-aminopropanoic acid
CID 18611140
(2S)-2-aminopropanoic acid
CID 5950
tris(2-aminopropanoic acid);cobalt
CID 50909705
(2R)-2-aminopropanoic acid;phosphane
CID 157319334
CID 86589108
CID 86589108
(2S)-2-aminopropanoic acid;polane
CID 173022618
acetic acid;(2S)-2-aminopropanoic acid
CID 87112640

Frequently Asked Questions

What is the IUPAC name of 3-aminobutan-2-yl hydrogen carbonate?
The IUPAC name of 3-aminobutan-2-yl hydrogen carbonate (CID 172831647) is 3-aminobutan-2-yl hydrogen carbonate.
What is the SMILES notation for 3-aminobutan-2-yl hydrogen carbonate?
The canonical SMILES for 3-aminobutan-2-yl hydrogen carbonate is CC(N)C(C)OC(=O)O.
What is the InChIKey of 3-aminobutan-2-yl hydrogen carbonate?
The InChIKey is DGOHJTMCQMCLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3/c1-3(6)4(2)9-5(7)8/h3-4H,6H2,1-2H3,(H,7,8).
What are the key properties of 3-aminobutan-2-yl hydrogen carbonate?
3-aminobutan-2-yl hydrogen carbonate has a molecular weight of 133.15 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminobutan-2-yl hydrogen carbonate is sourced from PubChem (CID 172831647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).