(2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutanoic acid

C10H19NO3 — CID 10987299

IUPAC(2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutanoic acid
SMILESN[C@@H](CC1CCCCC1)[C@@H](O)C(=O)O
InChIInChI=1S/C10H19NO3/c11-8(9(12)10(13)14)6-7-4-2-1-3-5-7/h7-9,12H,1-6,11H2,(H,13,14)/t8-,9+/m0/s1
InChIKeyLQHZTNXHEVLTBR-DTWKUNHWSA-N
MW201.27 g/mol
LogP0.73
Rot. Bonds4

About (2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutanoic acid

(2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutanoic acid (PubChem CID 10987299) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is (2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutanoic acid
PubChem CID10987299
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name(2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutanoic acid
SMILESN[C@@H](CC1CCCCC1)[C@@H](O)C(=O)O
InChIInChI=1S/C10H19NO3/c11-8(9(12)10(13)14)6-7-4-2-1-3-5-7/h7-9,12H,1-6,11H2,(H,13,14)/t8-,9+/m0/s1
InChIKeyLQHZTNXHEVLTBR-DTWKUNHWSA-N
XLogP0.73
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-cyclohexyl-2-hydroxy-N-methylbutanamide
CID 14478229
(2S,4R)-2,4-diamino-1,5-dicyclohexylpentan-3-ol
CID 10636664
4-[(3-amino-4-cyclohexyl-2-hydroxybutanoyl)amino]piperidine-1-carboxylic acid
CID 141016943
2-(cyclopentylmethyl)-3-methoxy-3-oxopropanoic acid
CID 11672870
(3S)-3-amino-4-cyclohexyl-2-hydroxy-1-morpholin-4-ylbutan-1-one
CID 86741929
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N,N-bis(methoxymethyl)butanamide
CID 70065085
4-cyclohexyl-2-hydroxy-3-(methylamino)butanoic acid
CID 70425259
(2R)-1-cyclohexyl-3-methylbutan-2-amine
CID 118964474
3-amino-N-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-4-cyclohexyl-2-hydroxybutanamide
CID 142647883
(2R)-2-(cyclopentylmethyl)-3-methylidenebutanedioic acid
CID 57007791
dimethyl 2-(cyclohexylmethyl)propanedioate
CID 22460415
3-cyclohexyl-2-iodopropanoic acid
CID 150221699

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutanoic acid?
The IUPAC name of (2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutanoic acid (CID 10987299) is (2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutanoic acid.
What is the SMILES notation for (2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutanoic acid?
The canonical SMILES for (2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutanoic acid is N[C@@H](CC1CCCCC1)[C@@H](O)C(=O)O.
What is the InChIKey of (2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutanoic acid?
The InChIKey is LQHZTNXHEVLTBR-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H19NO3/c11-8(9(12)10(13)14)6-7-4-2-1-3-5-7/h7-9,12H,1-6,11H2,(H,13,14)/t8-,9+/m0/s1.
What are the key properties of (2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutanoic acid?
(2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutanoic acid has a molecular weight of 201.27 g/mol, XLogP of 0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutanoic acid is sourced from PubChem (CID 10987299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).