3-(cyclobutanecarbonylamino)-2-hydroxypropanoic acid

C8H13NO4 — CID 66167867

IUPAC3-(cyclobutanecarbonylamino)-2-hydroxypropanoic acid
SMILESO=C(O)C(O)CNC(=O)C1CCC1
InChIInChI=1S/C8H13NO4/c10-6(8(12)13)4-9-7(11)5-2-1-3-5/h5-6,10H,1-4H2,(H,9,11)(H,12,13)
InChIKeyFVIOHKYLXKHAPV-UHFFFAOYSA-N
MW187.19 g/mol
LogP-0.65
Rot. Bonds4

About 3-(cyclobutanecarbonylamino)-2-hydroxypropanoic acid

3-(cyclobutanecarbonylamino)-2-hydroxypropanoic acid (PubChem CID 66167867) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 3-(cyclobutanecarbonylamino)-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-(cyclobutanecarbonylamino)-2-hydroxypropanoic acid
PubChem CID66167867
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name3-(cyclobutanecarbonylamino)-2-hydroxypropanoic acid
SMILESO=C(O)C(O)CNC(=O)C1CCC1
InChIInChI=1S/C8H13NO4/c10-6(8(12)13)4-9-7(11)5-2-1-3-5/h5-6,10H,1-4H2,(H,9,11)(H,12,13)
InChIKeyFVIOHKYLXKHAPV-UHFFFAOYSA-N
XLogP-0.65
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutanecarbonylamino)-2-hydroxypropanoic acid?
The IUPAC name of 3-(cyclobutanecarbonylamino)-2-hydroxypropanoic acid (CID 66167867) is 3-(cyclobutanecarbonylamino)-2-hydroxypropanoic acid.
What is the SMILES notation for 3-(cyclobutanecarbonylamino)-2-hydroxypropanoic acid?
The canonical SMILES for 3-(cyclobutanecarbonylamino)-2-hydroxypropanoic acid is O=C(O)C(O)CNC(=O)C1CCC1.
What is the InChIKey of 3-(cyclobutanecarbonylamino)-2-hydroxypropanoic acid?
The InChIKey is FVIOHKYLXKHAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c10-6(8(12)13)4-9-7(11)5-2-1-3-5/h5-6,10H,1-4H2,(H,9,11)(H,12,13).
What are the key properties of 3-(cyclobutanecarbonylamino)-2-hydroxypropanoic acid?
3-(cyclobutanecarbonylamino)-2-hydroxypropanoic acid has a molecular weight of 187.19 g/mol, XLogP of -0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutanecarbonylamino)-2-hydroxypropanoic acid is sourced from PubChem (CID 66167867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).