(4-methylcyclohexyl) (2S)-4-amino-2-hydroxybutanoate

C11H21NO3 — CID 107837520

IUPAC(4-methylcyclohexyl) (2S)-4-amino-2-hydroxybutanoate
SMILESCC1CCC(OC(=O)[C@@H](O)CCN)CC1
InChIInChI=1S/C11H21NO3/c1-8-2-4-9(5-3-8)15-11(14)10(13)6-7-12/h8-10,13H,2-7,12H2,1H3/t8?,9?,10-/m0/s1
InChIKeyCDWPFAQGZAWIQJ-RTBKNWGFSA-N
MW215.29 g/mol
LogP0.82
Rot. Bonds4

About (4-methylcyclohexyl) (2S)-4-amino-2-hydroxybutanoate

(4-methylcyclohexyl) (2S)-4-amino-2-hydroxybutanoate (PubChem CID 107837520) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is (4-methylcyclohexyl) (2S)-4-amino-2-hydroxybutanoate.

Molecular Properties

Compound Name(4-methylcyclohexyl) (2S)-4-amino-2-hydroxybutanoate
PubChem CID107837520
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name(4-methylcyclohexyl) (2S)-4-amino-2-hydroxybutanoate
SMILESCC1CCC(OC(=O)[C@@H](O)CCN)CC1
InChIInChI=1S/C11H21NO3/c1-8-2-4-9(5-3-8)15-11(14)10(13)6-7-12/h8-10,13H,2-7,12H2,1H3/t8?,9?,10-/m0/s1
InChIKeyCDWPFAQGZAWIQJ-RTBKNWGFSA-N
XLogP0.82
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylcyclohexyl) 4-amino-2-methylbutanoate
CID 80539770
cycloheptyl (2S)-4-amino-2-hydroxybutanoate
CID 107837588
oxan-4-yl 4-amino-2-hydroxybutanoate
CID 107837590
(3-ethylcyclohexyl) 4-amino-2-hydroxybutanoate
CID 107837631
(4-methylcyclohexyl) 2-amino-4-methylpentanoate
CID 61279653
(4-methylcyclohexyl) 2-amino-3-sulfanylpropanoate
CID 61278027
(4-methylcyclohexyl) (2S)-2-amino-3-methylbutanoate
CID 61278229
(4-methylcyclohexyl) (2S)-2-amino-3-methylpentanoate
CID 61278644
(4-methylcyclohexyl) (2S,3S)-2-amino-3-methylpentanoate
CID 61278231
(4-methylcyclohexyl) carbamate
CID 22083226
(4-methylcyclohexyl) 4-amino-2-(4-methylcyclohexyl)-4-oxobutanoate
CID 90807124
(4,4-dimethylcyclohexyl) 3-amino-2-hydroxypropanoate
CID 114341418

Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexyl) (2S)-4-amino-2-hydroxybutanoate?
The IUPAC name of (4-methylcyclohexyl) (2S)-4-amino-2-hydroxybutanoate (CID 107837520) is (4-methylcyclohexyl) (2S)-4-amino-2-hydroxybutanoate.
What is the SMILES notation for (4-methylcyclohexyl) (2S)-4-amino-2-hydroxybutanoate?
The canonical SMILES for (4-methylcyclohexyl) (2S)-4-amino-2-hydroxybutanoate is CC1CCC(OC(=O)[C@@H](O)CCN)CC1.
What is the InChIKey of (4-methylcyclohexyl) (2S)-4-amino-2-hydroxybutanoate?
The InChIKey is CDWPFAQGZAWIQJ-RTBKNWGFSA-N. The full InChI is InChI=1S/C11H21NO3/c1-8-2-4-9(5-3-8)15-11(14)10(13)6-7-12/h8-10,13H,2-7,12H2,1H3/t8?,9?,10-/m0/s1.
What are the key properties of (4-methylcyclohexyl) (2S)-4-amino-2-hydroxybutanoate?
(4-methylcyclohexyl) (2S)-4-amino-2-hydroxybutanoate has a molecular weight of 215.29 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexyl) (2S)-4-amino-2-hydroxybutanoate is sourced from PubChem (CID 107837520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).