(3-methylcyclohexyl) (2R)-2-amino-3-hydroxypropanoate

C10H19NO3 — CID 80751175

IUPAC(3-methylcyclohexyl) (2R)-2-amino-3-hydroxypropanoate
SMILESCC1CCCC(OC(=O)[C@H](N)CO)C1
InChIInChI=1S/C10H19NO3/c1-7-3-2-4-8(5-7)14-10(13)9(11)6-12/h7-9,12H,2-6,11H2,1H3/t7?,8?,9-/m1/s1
InChIKeyFGDBULVLQMTOOV-AMDVSUOASA-N
MW201.27 g/mol
LogP0.43
Rot. Bonds3

About (3-methylcyclohexyl) (2R)-2-amino-3-hydroxypropanoate

(3-methylcyclohexyl) (2R)-2-amino-3-hydroxypropanoate (PubChem CID 80751175) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is (3-methylcyclohexyl) (2R)-2-amino-3-hydroxypropanoate.

Molecular Properties

Compound Name(3-methylcyclohexyl) (2R)-2-amino-3-hydroxypropanoate
PubChem CID80751175
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name(3-methylcyclohexyl) (2R)-2-amino-3-hydroxypropanoate
SMILESCC1CCCC(OC(=O)[C@H](N)CO)C1
InChIInChI=1S/C10H19NO3/c1-7-3-2-4-8(5-7)14-10(13)9(11)6-12/h7-9,12H,2-6,11H2,1H3/t7?,8?,9-/m1/s1
InChIKeyFGDBULVLQMTOOV-AMDVSUOASA-N
XLogP0.43
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methylcyclohexyl) (2R)-2-amino-3-hydroxypropanoate?
The IUPAC name of (3-methylcyclohexyl) (2R)-2-amino-3-hydroxypropanoate (CID 80751175) is (3-methylcyclohexyl) (2R)-2-amino-3-hydroxypropanoate.
What is the SMILES notation for (3-methylcyclohexyl) (2R)-2-amino-3-hydroxypropanoate?
The canonical SMILES for (3-methylcyclohexyl) (2R)-2-amino-3-hydroxypropanoate is CC1CCCC(OC(=O)[C@H](N)CO)C1.
What is the InChIKey of (3-methylcyclohexyl) (2R)-2-amino-3-hydroxypropanoate?
The InChIKey is FGDBULVLQMTOOV-AMDVSUOASA-N. The full InChI is InChI=1S/C10H19NO3/c1-7-3-2-4-8(5-7)14-10(13)9(11)6-12/h7-9,12H,2-6,11H2,1H3/t7?,8?,9-/m1/s1.
What are the key properties of (3-methylcyclohexyl) (2R)-2-amino-3-hydroxypropanoate?
(3-methylcyclohexyl) (2R)-2-amino-3-hydroxypropanoate has a molecular weight of 201.27 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclohexyl) (2R)-2-amino-3-hydroxypropanoate is sourced from PubChem (CID 80751175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).