(1R,2S,4R)-4-(aminomethyl)-2-(2-hydroxyethyl)cyclohexane-1-carboxylic acid

C10H19NO3 — CID 90873349

IUPAC(1R,2S,4R)-4-(aminomethyl)-2-(2-hydroxyethyl)cyclohexane-1-carboxylic acid
SMILESNC[C@@H]1CC[C@@H](C(=O)O)[C@H](CCO)C1
InChIInChI=1S/C10H19NO3/c11-6-7-1-2-9(10(13)14)8(5-7)3-4-12/h7-9,12H,1-6,11H2,(H,13,14)/t7-,8-,9-/m1/s1
InChIKeyAVLGZZGGGPBUSR-IWSPIJDZSA-N
MW201.27 g/mol
LogP0.44
Rot. Bonds4

About (1R,2S,4R)-4-(aminomethyl)-2-(2-hydroxyethyl)cyclohexane-1-carboxylic acid

(1R,2S,4R)-4-(aminomethyl)-2-(2-hydroxyethyl)cyclohexane-1-carboxylic acid (PubChem CID 90873349) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is (1R,2S,4R)-4-(aminomethyl)-2-(2-hydroxyethyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name(1R,2S,4R)-4-(aminomethyl)-2-(2-hydroxyethyl)cyclohexane-1-carboxylic acid
PubChem CID90873349
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name(1R,2S,4R)-4-(aminomethyl)-2-(2-hydroxyethyl)cyclohexane-1-carboxylic acid
SMILESNC[C@@H]1CC[C@@H](C(=O)O)[C@H](CCO)C1
InChIInChI=1S/C10H19NO3/c11-6-7-1-2-9(10(13)14)8(5-7)3-4-12/h7-9,12H,1-6,11H2,(H,13,14)/t7-,8-,9-/m1/s1
InChIKeyAVLGZZGGGPBUSR-IWSPIJDZSA-N
XLogP0.44
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylic acid
CID 146256670
(3S)-3-(aminomethyl)cyclohexane-1-carboxylic acid
CID 172529377
trans-(1R,3R)-3-(aminomethyl)cyclohexane-1-carboxylic acid
CID 18632959
2-(aminomethyl)cyclopropane-1-carboxylic acid;hydrochloride
CID 78144501
3-(2-fluoroethyl)cyclopentane-1-carboxylic acid
CID 84716733
4-ethyl-2-(3-ethylsulfonylpropyl)cyclohexane-1-carboxylic acid
CID 81021131
2-but-3-enyl-4-propylcyclohexane-1-carboxylic acid
CID 81020893
4-(3-aminopropyl)cyclohexane-1-carboxylic acid
CID 126844543
2-(2-methylpropyl)-4-propylcyclohexane-1-carboxylic acid
CID 81020731
2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 79526837
(2R)-cyclobutane-1,2-dicarboxylic acid
CID 135193426
4-butylcyclohexane-1,2-dicarboxylic acid
CID 23284163

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4R)-4-(aminomethyl)-2-(2-hydroxyethyl)cyclohexane-1-carboxylic acid?
The IUPAC name of (1R,2S,4R)-4-(aminomethyl)-2-(2-hydroxyethyl)cyclohexane-1-carboxylic acid (CID 90873349) is (1R,2S,4R)-4-(aminomethyl)-2-(2-hydroxyethyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for (1R,2S,4R)-4-(aminomethyl)-2-(2-hydroxyethyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for (1R,2S,4R)-4-(aminomethyl)-2-(2-hydroxyethyl)cyclohexane-1-carboxylic acid is NC[C@@H]1CC[C@@H](C(=O)O)[C@H](CCO)C1.
What is the InChIKey of (1R,2S,4R)-4-(aminomethyl)-2-(2-hydroxyethyl)cyclohexane-1-carboxylic acid?
The InChIKey is AVLGZZGGGPBUSR-IWSPIJDZSA-N. The full InChI is InChI=1S/C10H19NO3/c11-6-7-1-2-9(10(13)14)8(5-7)3-4-12/h7-9,12H,1-6,11H2,(H,13,14)/t7-,8-,9-/m1/s1.
What are the key properties of (1R,2S,4R)-4-(aminomethyl)-2-(2-hydroxyethyl)cyclohexane-1-carboxylic acid?
(1R,2S,4R)-4-(aminomethyl)-2-(2-hydroxyethyl)cyclohexane-1-carboxylic acid has a molecular weight of 201.27 g/mol, XLogP of 0.44, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4R)-4-(aminomethyl)-2-(2-hydroxyethyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 90873349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).