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

C9H17NO3 — CID 117046513

IUPACethyl 4-amino-2-hydroxycyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(N)CC1O
InChIInChI=1S/C9H17NO3/c1-2-13-9(12)7-4-3-6(10)5-8(7)11/h6-8,11H,2-5,10H2,1H3
InChIKeyPUBDSRZWZIUXJI-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.04
Rot. Bonds2

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

ethyl 4-amino-2-hydroxycyclohexane-1-carboxylate (PubChem CID 117046513) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is ethyl 4-amino-2-hydroxycyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-2-hydroxycyclohexane-1-carboxylate
PubChem CID117046513
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Nameethyl 4-amino-2-hydroxycyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(N)CC1O
InChIInChI=1S/C9H17NO3/c1-2-13-9(12)7-4-3-6(10)5-8(7)11/h6-8,11H,2-5,10H2,1H3
InChIKeyPUBDSRZWZIUXJI-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

Analyze ethyl 4-amino-2-hydroxycyclohexane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-amino-2-hydroxycyclohexane-1-carboxylate;hydrochloride
CID 117046512
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
cis-ethyl (1R,2S)-2-acetylcyclobutane-1-carboxylate
CID 165354551
2-ethoxycarbonylcyclobutane-1-carboxylic acid
CID 19889622
trans-ethyl (1R,2R)-2-carbonochloridoylcyclopropane-1-carboxylate
CID 12547530
ethyl 2-acetylcyclopropane-1-carboxylate
CID 12537328
(1R,2R,4R)-2-ethoxycarbonyl-4-hydroxycyclopentane-1-carboxylic acid
CID 59619444
ethyl 5-hydroxy-2-methylcyclohexane-1-carboxylate
CID 22614095
ethyl 2-propanoylcyclopropane-1-carboxylate
CID 59593706

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-2-hydroxycyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-amino-2-hydroxycyclohexane-1-carboxylate (CID 117046513) is ethyl 4-amino-2-hydroxycyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-amino-2-hydroxycyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-amino-2-hydroxycyclohexane-1-carboxylate is CCOC(=O)C1CCC(N)CC1O.
What is the InChIKey of ethyl 4-amino-2-hydroxycyclohexane-1-carboxylate?
The InChIKey is PUBDSRZWZIUXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-2-13-9(12)7-4-3-6(10)5-8(7)11/h6-8,11H,2-5,10H2,1H3.
What are the key properties of ethyl 4-amino-2-hydroxycyclohexane-1-carboxylate?
ethyl 4-amino-2-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 4-amino-2-hydroxycyclohexane-1-carboxylate is sourced from PubChem (CID 117046513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).