2-(cyclohexanecarbonylamino)-3-hydroxypropanoic acid

C10H17NO4 — CID 16771120

IUPAC2-(cyclohexanecarbonylamino)-3-hydroxypropanoic acid
SMILESO=C(NC(CO)C(=O)O)C1CCCCC1
InChIInChI=1S/C10H17NO4/c12-6-8(10(14)15)11-9(13)7-4-2-1-3-5-7/h7-8,12H,1-6H2,(H,11,13)(H,14,15)
InChIKeyGABCEPHLYYEXHP-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.13
Rot. Bonds4

About 2-(cyclohexanecarbonylamino)-3-hydroxypropanoic acid

2-(cyclohexanecarbonylamino)-3-hydroxypropanoic acid (PubChem CID 16771120) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-(cyclohexanecarbonylamino)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-(cyclohexanecarbonylamino)-3-hydroxypropanoic acid
PubChem CID16771120
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name2-(cyclohexanecarbonylamino)-3-hydroxypropanoic acid
SMILESO=C(NC(CO)C(=O)O)C1CCCCC1
InChIInChI=1S/C10H17NO4/c12-6-8(10(14)15)11-9(13)7-4-2-1-3-5-7/h7-8,12H,1-6H2,(H,11,13)(H,14,15)
InChIKeyGABCEPHLYYEXHP-UHFFFAOYSA-N
XLogP0.13
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexanecarbonylamino)-3-hydroxypropanoic acid?
The IUPAC name of 2-(cyclohexanecarbonylamino)-3-hydroxypropanoic acid (CID 16771120) is 2-(cyclohexanecarbonylamino)-3-hydroxypropanoic acid.
What is the SMILES notation for 2-(cyclohexanecarbonylamino)-3-hydroxypropanoic acid?
The canonical SMILES for 2-(cyclohexanecarbonylamino)-3-hydroxypropanoic acid is O=C(NC(CO)C(=O)O)C1CCCCC1.
What is the InChIKey of 2-(cyclohexanecarbonylamino)-3-hydroxypropanoic acid?
The InChIKey is GABCEPHLYYEXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c12-6-8(10(14)15)11-9(13)7-4-2-1-3-5-7/h7-8,12H,1-6H2,(H,11,13)(H,14,15).
What are the key properties of 2-(cyclohexanecarbonylamino)-3-hydroxypropanoic acid?
2-(cyclohexanecarbonylamino)-3-hydroxypropanoic acid has a molecular weight of 215.25 g/mol, XLogP of 0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexanecarbonylamino)-3-hydroxypropanoic acid is sourced from PubChem (CID 16771120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).