ethyl 2-amino-3-hydroxycyclohexane-1-carboxylate

C9H17NO3 — CID 22258605

IUPACethyl 2-amino-3-hydroxycyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCCC(O)C1N
InChIInChI=1S/C9H17NO3/c1-2-13-9(12)6-4-3-5-7(11)8(6)10/h6-8,11H,2-5,10H2,1H3
InChIKeyCLPRJBMFXOMVPG-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.04
Rot. Bonds2

About ethyl 2-amino-3-hydroxycyclohexane-1-carboxylate

ethyl 2-amino-3-hydroxycyclohexane-1-carboxylate (PubChem CID 22258605) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is ethyl 2-amino-3-hydroxycyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-3-hydroxycyclohexane-1-carboxylate
PubChem CID22258605
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Nameethyl 2-amino-3-hydroxycyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCCC(O)C1N
InChIInChI=1S/C9H17NO3/c1-2-13-9(12)6-4-3-5-7(11)8(6)10/h6-8,11H,2-5,10H2,1H3
InChIKeyCLPRJBMFXOMVPG-UHFFFAOYSA-N
XLogP0.04
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2S)-2-hydroxycyclopentane-1-carboxylate
CID 130360742
trans-ethyl (1R,2R)-2-hydroxycyclohexane-1-carboxylate
CID 1268212
ethyl 2-aminocyclopentane-1-carboxylate;hydrochloride
CID 22258377
ethyl 2-methylcyclopentane-1-carboxylate
CID 10844634
ethyl (2S)-2-propan-2-ylcyclopentane-1-carboxylate
CID 89296898
cis-ethyl (1R,2R)-2-ethylcyclopentane-1-carboxylate
CID 101471525
ethyl 4-amino-2-hydroxycyclohexane-1-carboxylate
CID 117046513
(2R)-2-amino-3-hydroxycyclohexane-1-carboxylic acid
CID 130643029
trans-ethyl (1S,2S)-2-methylcyclohexane-1-carboxylate
CID 28766550
ethyl 2,3-dichlorocyclohexane-1-carboxylate
CID 174393055
ethyl 2-tert-butylcyclohexane-1-carboxylate
CID 67415687
ethyl 4-amino-2-hydroxycyclohexane-1-carboxylate;hydrochloride
CID 117046512

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-hydroxycyclohexane-1-carboxylate?
The IUPAC name of ethyl 2-amino-3-hydroxycyclohexane-1-carboxylate (CID 22258605) is ethyl 2-amino-3-hydroxycyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 2-amino-3-hydroxycyclohexane-1-carboxylate?
The canonical SMILES for ethyl 2-amino-3-hydroxycyclohexane-1-carboxylate is CCOC(=O)C1CCCC(O)C1N.
What is the InChIKey of ethyl 2-amino-3-hydroxycyclohexane-1-carboxylate?
The InChIKey is CLPRJBMFXOMVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-2-13-9(12)6-4-3-5-7(11)8(6)10/h6-8,11H,2-5,10H2,1H3.
What are the key properties of ethyl 2-amino-3-hydroxycyclohexane-1-carboxylate?
ethyl 2-amino-3-hydroxycyclohexane-1-carboxylate has a molecular weight of 187.24 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-hydroxycyclohexane-1-carboxylate is sourced from PubChem (CID 22258605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).