lithium;(3S)-3-amino-3-cyclohexylpropanoic acid;hydride

C9H18LiNO2 — CID 174434398

IUPAClithium;(3S)-3-amino-3-cyclohexylpropanoic acid;hydride
SMILESN[C@@H](CC(=O)O)C1CCCCC1.[H-].[Li+]
InChIInChI=1S/C9H17NO2.Li.H/c10-8(6-9(11)12)7-4-2-1-3-5-7;;/h7-8H,1-6,10H2,(H,11,12);;/q;+1;-1/t8-;;/m0../s1
InChIKeyBRIFBYNFAVAXKS-JZGIKJSDSA-N
MW179.19 g/mol
LogP-1.51
Rot. Bonds3

About lithium;(3S)-3-amino-3-cyclohexylpropanoic acid;hydride

lithium;(3S)-3-amino-3-cyclohexylpropanoic acid;hydride (PubChem CID 174434398) has the molecular formula C9H18LiNO2 and a molecular weight of 179.19 g/mol. Its IUPAC name is lithium;(3S)-3-amino-3-cyclohexylpropanoic acid;hydride.

Molecular Properties

Compound Namelithium;(3S)-3-amino-3-cyclohexylpropanoic acid;hydride
PubChem CID174434398
Molecular FormulaC9H18LiNO2
Molecular Weight179.19 g/mol
Exact Mass179.15
IUPAC Namelithium;(3S)-3-amino-3-cyclohexylpropanoic acid;hydride
SMILESN[C@@H](CC(=O)O)C1CCCCC1.[H-].[Li+]
InChIInChI=1S/C9H17NO2.Li.H/c10-8(6-9(11)12)7-4-2-1-3-5-7;;/h7-8H,1-6,10H2,(H,11,12);;/q;+1;-1/t8-;;/m0../s1
InChIKeyBRIFBYNFAVAXKS-JZGIKJSDSA-N
XLogP-1.51
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 5-1.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-3-cyclopropylpropanoic acid;hydrochloride
CID 155887796
3-amino-3-cyclooctylpropanoate
CID 22987137
3-cyclohexyl-3-fluoropropanoic acid
CID 105435814
3-amino-4-[[(1S)-1-cyclohexylethyl]amino]-4-oxobutanoic acid
CID 81386150
(3R)-4-amino-3-cyclohexylbutanoic acid
CID 8000611
(3R)-3-amino-3-(4-tert-butylcyclohexyl)propanoic acid
CID 104941123
4-amino-3-cyclopentylpentanoic acid
CID 66096453
(3S)-3-amino-4-cyclopentylbutanoic acid
CID 55254497
(4R)-4-amino-4-cyclobutylbutanoic acid
CID 55293658
4-amino-3-cyclopentylbutanoic acid
CID 10130168
(3S,6S)-3-amino-6-cyclohexylheptanoic acid
CID 68869022
3-amino-4-cyclopentyl-5-methylhexanoic acid
CID 83909854

Frequently Asked Questions

What is the IUPAC name of lithium;(3S)-3-amino-3-cyclohexylpropanoic acid;hydride?
The IUPAC name of lithium;(3S)-3-amino-3-cyclohexylpropanoic acid;hydride (CID 174434398) is lithium;(3S)-3-amino-3-cyclohexylpropanoic acid;hydride.
What is the SMILES notation for lithium;(3S)-3-amino-3-cyclohexylpropanoic acid;hydride?
The canonical SMILES for lithium;(3S)-3-amino-3-cyclohexylpropanoic acid;hydride is N[C@@H](CC(=O)O)C1CCCCC1.[H-].[Li+].
What is the InChIKey of lithium;(3S)-3-amino-3-cyclohexylpropanoic acid;hydride?
The InChIKey is BRIFBYNFAVAXKS-JZGIKJSDSA-N. The full InChI is InChI=1S/C9H17NO2.Li.H/c10-8(6-9(11)12)7-4-2-1-3-5-7;;/h7-8H,1-6,10H2,(H,11,12);;/q;+1;-1/t8-;;/m0../s1.
What are the key properties of lithium;(3S)-3-amino-3-cyclohexylpropanoic acid;hydride?
lithium;(3S)-3-amino-3-cyclohexylpropanoic acid;hydride has a molecular weight of 179.19 g/mol, XLogP of -1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;(3S)-3-amino-3-cyclohexylpropanoic acid;hydride is sourced from PubChem (CID 174434398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).