(2R)-2-amino-3-hydroxycyclohexane-1-carboxylic acid

C7H13NO3 — CID 130643029

IUPAC(2R)-2-amino-3-hydroxycyclohexane-1-carboxylic acid
SMILESN[C@H]1C(O)CCCC1C(=O)O
InChIInChI=1S/C7H13NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h4-6,9H,1-3,8H2,(H,10,11)/t4?,5?,6-/m1/s1
InChIKeyDCUHOFBVYJTTIA-JMMWHDCWSA-N
MW159.18 g/mol
LogP-0.44
Rot. Bonds1

About (2R)-2-amino-3-hydroxycyclohexane-1-carboxylic acid

(2R)-2-amino-3-hydroxycyclohexane-1-carboxylic acid (PubChem CID 130643029) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is (2R)-2-amino-3-hydroxycyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-hydroxycyclohexane-1-carboxylic acid
PubChem CID130643029
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name(2R)-2-amino-3-hydroxycyclohexane-1-carboxylic acid
SMILESN[C@H]1C(O)CCCC1C(=O)O
InChIInChI=1S/C7H13NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h4-6,9H,1-3,8H2,(H,10,11)/t4?,5?,6-/m1/s1
InChIKeyDCUHOFBVYJTTIA-JMMWHDCWSA-N
XLogP-0.44
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2R,3S)-2-amino-3-hydroxycyclohexane-1-carboxylic acid;hydrobromide
CID 11564961
ethyl 2-amino-3-hydroxycyclohexane-1-carboxylate
CID 22258605
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
cis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid;hydrobromide
CID 24751167
cis-(1R,2S)-2-aminocycloheptane-1-carboxylic acid;cis-(1S,2R)-2-aminocycloheptane-1-carboxylic acid
CID 127239829
(1R,2R,3S)-2-amino-3-methylcyclopentane-1-carboxylic acid
CID 95757427

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-hydroxycyclohexane-1-carboxylic acid?
The IUPAC name of (2R)-2-amino-3-hydroxycyclohexane-1-carboxylic acid (CID 130643029) is (2R)-2-amino-3-hydroxycyclohexane-1-carboxylic acid.
What is the SMILES notation for (2R)-2-amino-3-hydroxycyclohexane-1-carboxylic acid?
The canonical SMILES for (2R)-2-amino-3-hydroxycyclohexane-1-carboxylic acid is N[C@H]1C(O)CCCC1C(=O)O.
What is the InChIKey of (2R)-2-amino-3-hydroxycyclohexane-1-carboxylic acid?
The InChIKey is DCUHOFBVYJTTIA-JMMWHDCWSA-N. The full InChI is InChI=1S/C7H13NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h4-6,9H,1-3,8H2,(H,10,11)/t4?,5?,6-/m1/s1.
What are the key properties of (2R)-2-amino-3-hydroxycyclohexane-1-carboxylic acid?
(2R)-2-amino-3-hydroxycyclohexane-1-carboxylic acid has a molecular weight of 159.18 g/mol, XLogP of -0.44, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-hydroxycyclohexane-1-carboxylic acid is sourced from PubChem (CID 130643029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).