ethyl 4-amino-2-hydroxycyclohexane-1-carboxylate;hydrochloride

C9H18ClNO3 — CID 117046512

IUPACethyl 4-amino-2-hydroxycyclohexane-1-carboxylate;hydrochloride
SMILESCCOC(=O)C1CCC(N)CC1O.Cl
InChIInChI=1S/C9H17NO3.ClH/c1-2-13-9(12)7-4-3-6(10)5-8(7)11;/h6-8,11H,2-5,10H2,1H3;1H
InChIKeyYMJLAJKVGQFXOY-UHFFFAOYSA-N
MW223.70 g/mol
LogP0.46
Rot. Bonds2

About ethyl 4-amino-2-hydroxycyclohexane-1-carboxylate;hydrochloride

ethyl 4-amino-2-hydroxycyclohexane-1-carboxylate;hydrochloride (PubChem CID 117046512) has the molecular formula C9H18ClNO3 and a molecular weight of 223.70 g/mol. Its IUPAC name is ethyl 4-amino-2-hydroxycyclohexane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-amino-2-hydroxycyclohexane-1-carboxylate;hydrochloride
PubChem CID117046512
Molecular FormulaC9H18ClNO3
Molecular Weight223.70 g/mol
Exact Mass223.10
IUPAC Nameethyl 4-amino-2-hydroxycyclohexane-1-carboxylate;hydrochloride
SMILESCCOC(=O)C1CCC(N)CC1O.Cl
InChIInChI=1S/C9H17NO3.ClH/c1-2-13-9(12)7-4-3-6(10)5-8(7)11;/h6-8,11H,2-5,10H2,1H3;1H
InChIKeyYMJLAJKVGQFXOY-UHFFFAOYSA-N
XLogP0.46
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-amino-2-hydroxycyclohexane-1-carboxylate
CID 117046513
ethyl (2S)-2-hydroxycyclopentane-1-carboxylate
CID 130360742
trans-ethyl (1R,2R)-2-hydroxycyclohexane-1-carboxylate
CID 1268212
ethyl 2-aminocyclopropane-1-carboxylate
CID 53488445
ethyl 2-amino-3-hydroxycyclohexane-1-carboxylate
CID 22258605
2-ethoxycarbonylcyclobutane-1-carboxylic acid
CID 19889622
cis-ethyl (1R,2S)-2-acetylcyclobutane-1-carboxylate
CID 165354551
ethyl 2-aminocyclopentane-1-carboxylate;hydrochloride
CID 22258377
ethyl 8-aminocyclooct-4-ene-1-carboxylate;hydrochloride
CID 172641060
ethyl 2-acetylcyclopropane-1-carboxylate
CID 12537328
trans-ethyl (1R,2R)-2-carbonochloridoylcyclopropane-1-carboxylate
CID 12547530
(1R,2R,4R)-2-ethoxycarbonyl-4-hydroxycyclopentane-1-carboxylic acid
CID 59619444

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-2-hydroxycyclohexane-1-carboxylate;hydrochloride?
The IUPAC name of ethyl 4-amino-2-hydroxycyclohexane-1-carboxylate;hydrochloride (CID 117046512) is ethyl 4-amino-2-hydroxycyclohexane-1-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 4-amino-2-hydroxycyclohexane-1-carboxylate;hydrochloride?
The canonical SMILES for ethyl 4-amino-2-hydroxycyclohexane-1-carboxylate;hydrochloride is CCOC(=O)C1CCC(N)CC1O.Cl.
What is the InChIKey of ethyl 4-amino-2-hydroxycyclohexane-1-carboxylate;hydrochloride?
The InChIKey is YMJLAJKVGQFXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3.ClH/c1-2-13-9(12)7-4-3-6(10)5-8(7)11;/h6-8,11H,2-5,10H2,1H3;1H.
What are the key properties of ethyl 4-amino-2-hydroxycyclohexane-1-carboxylate;hydrochloride?
ethyl 4-amino-2-hydroxycyclohexane-1-carboxylate;hydrochloride has a molecular weight of 223.70 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-2-hydroxycyclohexane-1-carboxylate;hydrochloride is sourced from PubChem (CID 117046512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).