(2R,3R)-3-[(2R)-2-aminopropoxy]-4-cyclohexyl-2-methylbutanoic acid;lawrencium

C14H27LrNO3 — CID 155693461

IUPAC(2R,3R)-3-[(2R)-2-aminopropoxy]-4-cyclohexyl-2-methylbutanoic acid;lawrencium
SMILESC[C@@H](N)CO[C@H](CC1CCCCC1)[C@@H](C)C(=O)O.[Lr]
InChIInChI=1S/C14H27NO3.Lr/c1-10(15)9-18-13(11(2)14(16)17)8-12-6-4-3-5-7-12;/h10-13H,3-9,15H2,1-2H3,(H,16,17);/t10-,11-,13-;/m1./s1
InChIKeySTVPJJGJMOVOHZ-FCMXFIQISA-N
MW519.37 g/mol
LogP2.41
Rot. Bonds7

About (2R,3R)-3-[(2R)-2-aminopropoxy]-4-cyclohexyl-2-methylbutanoic acid;lawrencium

(2R,3R)-3-[(2R)-2-aminopropoxy]-4-cyclohexyl-2-methylbutanoic acid;lawrencium (PubChem CID 155693461) has the molecular formula C14H27LrNO3 and a molecular weight of 519.37 g/mol. Its IUPAC name is (2R,3R)-3-[(2R)-2-aminopropoxy]-4-cyclohexyl-2-methylbutanoic acid;lawrencium.

Molecular Properties

Compound Name(2R,3R)-3-[(2R)-2-aminopropoxy]-4-cyclohexyl-2-methylbutanoic acid;lawrencium
PubChem CID155693461
Molecular FormulaC14H27LrNO3
Molecular Weight519.37 g/mol
Exact Mass519.31
IUPAC Name(2R,3R)-3-[(2R)-2-aminopropoxy]-4-cyclohexyl-2-methylbutanoic acid;lawrencium
SMILESC[C@@H](N)CO[C@H](CC1CCCCC1)[C@@H](C)C(=O)O.[Lr]
InChIInChI=1S/C14H27NO3.Lr/c1-10(15)9-18-13(11(2)14(16)17)8-12-6-4-3-5-7-12;/h10-13H,3-9,15H2,1-2H3,(H,16,17);/t10-,11-,13-;/m1./s1
InChIKeySTVPJJGJMOVOHZ-FCMXFIQISA-N
XLogP2.41
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.37
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(cyclohexylmethyl)propanamide
CID 43215382
(2S)-2-(cyclohexylmethyl)-3-methylbutanoic acid
CID 22877220
2-amino-N-(cyclooctylmethyl)propanamide;hydrochloride
CID 119299452
(2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutanoic acid
CID 10987299
2-(cyclopentylmethyl)-3-methoxy-3-oxopropanoic acid
CID 11672870
3-amino-4-cyclohexylbutan-2-one
CID 20668322
2-amino-3-cyclohexylpropanoic acid;2-amino-4,4-dimethylpentanoic acid
CID 175070006
(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-cyclohexylpropanoic acid
CID 10635767
dimethyl 2-(cyclohexylmethyl)propanedioate
CID 22460415
2-(cyclopentylmethoxy)propanoic acid
CID 66322360
ethyl (2S)-2-amino-3-cyclohexylpropanoate;hydrochloride
CID 67876797
2-amino-3-cyclopropylpropanoic acid
CID 519178

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-[(2R)-2-aminopropoxy]-4-cyclohexyl-2-methylbutanoic acid;lawrencium?
The IUPAC name of (2R,3R)-3-[(2R)-2-aminopropoxy]-4-cyclohexyl-2-methylbutanoic acid;lawrencium (CID 155693461) is (2R,3R)-3-[(2R)-2-aminopropoxy]-4-cyclohexyl-2-methylbutanoic acid;lawrencium.
What is the SMILES notation for (2R,3R)-3-[(2R)-2-aminopropoxy]-4-cyclohexyl-2-methylbutanoic acid;lawrencium?
The canonical SMILES for (2R,3R)-3-[(2R)-2-aminopropoxy]-4-cyclohexyl-2-methylbutanoic acid;lawrencium is C[C@@H](N)CO[C@H](CC1CCCCC1)[C@@H](C)C(=O)O.[Lr].
What is the InChIKey of (2R,3R)-3-[(2R)-2-aminopropoxy]-4-cyclohexyl-2-methylbutanoic acid;lawrencium?
The InChIKey is STVPJJGJMOVOHZ-FCMXFIQISA-N. The full InChI is InChI=1S/C14H27NO3.Lr/c1-10(15)9-18-13(11(2)14(16)17)8-12-6-4-3-5-7-12;/h10-13H,3-9,15H2,1-2H3,(H,16,17);/t10-,11-,13-;/m1./s1.
What are the key properties of (2R,3R)-3-[(2R)-2-aminopropoxy]-4-cyclohexyl-2-methylbutanoic acid;lawrencium?
(2R,3R)-3-[(2R)-2-aminopropoxy]-4-cyclohexyl-2-methylbutanoic acid;lawrencium has a molecular weight of 519.37 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-[(2R)-2-aminopropoxy]-4-cyclohexyl-2-methylbutanoic acid;lawrencium is sourced from PubChem (CID 155693461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).