(1R,2R,3S)-2-amino-3-hydroxycyclohexane-1-carboxylic acid;hydrobromide

C7H14BrNO3 — CID 11564961

IUPAC(1R,2R,3S)-2-amino-3-hydroxycyclohexane-1-carboxylic acid;hydrobromide
SMILESBr.N[C@H]1[C@@H](O)CCC[C@H]1C(=O)O
InChIInChI=1S/C7H13NO3.BrH/c8-6-4(7(10)11)2-1-3-5(6)9;/h4-6,9H,1-3,8H2,(H,10,11);1H/t4-,5+,6-;/m1./s1
InChIKeySHKKBRQSVDACRJ-KJESCUSBSA-N
MW240.10 g/mol
LogP0.14
Rot. Bonds1

About (1R,2R,3S)-2-amino-3-hydroxycyclohexane-1-carboxylic acid;hydrobromide

(1R,2R,3S)-2-amino-3-hydroxycyclohexane-1-carboxylic acid;hydrobromide (PubChem CID 11564961) has the molecular formula C7H14BrNO3 and a molecular weight of 240.10 g/mol. Its IUPAC name is (1R,2R,3S)-2-amino-3-hydroxycyclohexane-1-carboxylic acid;hydrobromide.

Molecular Properties

Compound Name(1R,2R,3S)-2-amino-3-hydroxycyclohexane-1-carboxylic acid;hydrobromide
PubChem CID11564961
Molecular FormulaC7H14BrNO3
Molecular Weight240.10 g/mol
Exact Mass239.02
IUPAC Name(1R,2R,3S)-2-amino-3-hydroxycyclohexane-1-carboxylic acid;hydrobromide
SMILESBr.N[C@H]1[C@@H](O)CCC[C@H]1C(=O)O
InChIInChI=1S/C7H13NO3.BrH/c8-6-4(7(10)11)2-1-3-5(6)9;/h4-6,9H,1-3,8H2,(H,10,11);1H/t4-,5+,6-;/m1./s1
InChIKeySHKKBRQSVDACRJ-KJESCUSBSA-N
XLogP0.14
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-3-hydroxycyclohexane-1-carboxylic acid
CID 130643029
ethyl 2-amino-3-hydroxycyclohexane-1-carboxylate
CID 22258605
cis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid;hydrobromide
CID 24751167
trans-(1S,2S)-2-aminocyclopentane-1-carboxylic acid;hydrochloride
CID 56971751
bis(cis-(1R,2S)-2-aminocyclopentane-1-carboxylic acid);hydrate;dihydrochloride
CID 2725066
(1S,2R,3R)-2-amino-3-methylcyclohexan-1-ol
CID 90137025
trans-(1S,2S)-2-hydroxycyclopentane-1-carboxamide
CID 55282135
cis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid
CID 2724639
(2-amino-3-hydroxycyclohexyl)carbamic acid
CID 122516503
(1S)-2,3-diaminocyclohexan-1-ol
CID 138662284
(1R,2R,3S)-2-amino-3-methylcyclopentane-1-carboxylic acid
CID 95757427
cis-(1R,2S)-2-aminocycloheptane-1-carboxylic acid;cis-(1S,2R)-2-aminocycloheptane-1-carboxylic acid
CID 127239829

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S)-2-amino-3-hydroxycyclohexane-1-carboxylic acid;hydrobromide?
The IUPAC name of (1R,2R,3S)-2-amino-3-hydroxycyclohexane-1-carboxylic acid;hydrobromide (CID 11564961) is (1R,2R,3S)-2-amino-3-hydroxycyclohexane-1-carboxylic acid;hydrobromide.
What is the SMILES notation for (1R,2R,3S)-2-amino-3-hydroxycyclohexane-1-carboxylic acid;hydrobromide?
The canonical SMILES for (1R,2R,3S)-2-amino-3-hydroxycyclohexane-1-carboxylic acid;hydrobromide is Br.N[C@H]1[C@@H](O)CCC[C@H]1C(=O)O.
What is the InChIKey of (1R,2R,3S)-2-amino-3-hydroxycyclohexane-1-carboxylic acid;hydrobromide?
The InChIKey is SHKKBRQSVDACRJ-KJESCUSBSA-N. The full InChI is InChI=1S/C7H13NO3.BrH/c8-6-4(7(10)11)2-1-3-5(6)9;/h4-6,9H,1-3,8H2,(H,10,11);1H/t4-,5+,6-;/m1./s1.
What are the key properties of (1R,2R,3S)-2-amino-3-hydroxycyclohexane-1-carboxylic acid;hydrobromide?
(1R,2R,3S)-2-amino-3-hydroxycyclohexane-1-carboxylic acid;hydrobromide has a molecular weight of 240.10 g/mol, XLogP of 0.14, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S)-2-amino-3-hydroxycyclohexane-1-carboxylic acid;hydrobromide is sourced from PubChem (CID 11564961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).