(2S,3R)-3-amino-4-cyclohexyl-2-hydroxy-N-methylbutanamide

C11H22N2O2 — CID 18631421

IUPAC(2S,3R)-3-amino-4-cyclohexyl-2-hydroxy-N-methylbutanamide
SMILESCNC(=O)[C@@H](O)[C@H](N)CC1CCCCC1
InChIInChI=1S/C11H22N2O2/c1-13-11(15)10(14)9(12)7-8-5-3-2-4-6-8/h8-10,14H,2-7,12H2,1H3,(H,13,15)/t9-,10+/m1/s1
InChIKeyYAGYMWKRSHELIX-ZJUUUORDSA-N
MW214.31 g/mol
LogP0.39
Rot. Bonds4

About (2S,3R)-3-amino-4-cyclohexyl-2-hydroxy-N-methylbutanamide

(2S,3R)-3-amino-4-cyclohexyl-2-hydroxy-N-methylbutanamide (PubChem CID 18631421) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (2S,3R)-3-amino-4-cyclohexyl-2-hydroxy-N-methylbutanamide.

Molecular Properties

Compound Name(2S,3R)-3-amino-4-cyclohexyl-2-hydroxy-N-methylbutanamide
PubChem CID18631421
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(2S,3R)-3-amino-4-cyclohexyl-2-hydroxy-N-methylbutanamide
SMILESCNC(=O)[C@@H](O)[C@H](N)CC1CCCCC1
InChIInChI=1S/C11H22N2O2/c1-13-11(15)10(14)9(12)7-8-5-3-2-4-6-8/h8-10,14H,2-7,12H2,1H3,(H,13,15)/t9-,10+/m1/s1
InChIKeyYAGYMWKRSHELIX-ZJUUUORDSA-N
XLogP0.39
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Valinoctin A
CID 10468589
Valinoctin B
CID 11778868
(S)-2-((R)-3-Amino-4-cyclohexyl-2-hydroxy-butyrylamino)-propionic acid ethyl ester
CID 9922371
deamino-Leu-Leu-bAla(2R-OH,3S-CH2cHex)-iPr
CID 44272502
deamino-Leu-Leu-bAla(2R-OH,3S-CH2cHex)-Pr
CID 44272553
deamino-Leu-Leu-bAla(2R-OH,3S-CH2cHex)-Me
CID 44272576
(S)-2-((2S,3R)-3-Amino-4-cyclohexyl-2-hydroxy-butyrylamino)-propionic acid ethyl ester
CID 44381916
3-Amino-2-hydroxy-5-methyl-hexanoic acid (3-methyl-butyl)-amide
CID 44360285
Bestatin Impurity 3
CID 54394267
(S)-2-((2S,3R)-3-Amino-4-cyclohexyl-2-hydroxy-butyrylamino)-3-methyl-butyric acid methyl ester
CID 44381662
(R)-2-((2S,3R)-3-Amino-4-cyclohexyl-2-hydroxy-butyrylamino)-propionic acid ethyl ester
CID 44381901
tert-Butyl (4-amino-1-cyclobutyl-3-hydroxy-4-oxobutan-2-yl)carbamate
CID 11514590

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-amino-4-cyclohexyl-2-hydroxy-N-methylbutanamide?
The IUPAC name of (2S,3R)-3-amino-4-cyclohexyl-2-hydroxy-N-methylbutanamide (CID 18631421) is (2S,3R)-3-amino-4-cyclohexyl-2-hydroxy-N-methylbutanamide.
What is the SMILES notation for (2S,3R)-3-amino-4-cyclohexyl-2-hydroxy-N-methylbutanamide?
The canonical SMILES for (2S,3R)-3-amino-4-cyclohexyl-2-hydroxy-N-methylbutanamide is CNC(=O)[C@@H](O)[C@H](N)CC1CCCCC1.
What is the InChIKey of (2S,3R)-3-amino-4-cyclohexyl-2-hydroxy-N-methylbutanamide?
The InChIKey is YAGYMWKRSHELIX-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-13-11(15)10(14)9(12)7-8-5-3-2-4-6-8/h8-10,14H,2-7,12H2,1H3,(H,13,15)/t9-,10+/m1/s1.
What are the key properties of (2S,3R)-3-amino-4-cyclohexyl-2-hydroxy-N-methylbutanamide?
(2S,3R)-3-amino-4-cyclohexyl-2-hydroxy-N-methylbutanamide has a molecular weight of 214.31 g/mol, XLogP of 0.39, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-amino-4-cyclohexyl-2-hydroxy-N-methylbutanamide is sourced from PubChem (CID 18631421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).