propyl 1-amino-4-oxocyclohexane-1-carboxylate

C10H17NO3 — CID 153351998

IUPACpropyl 1-amino-4-oxocyclohexane-1-carboxylate
SMILESCCCOC(=O)C1(N)CCC(=O)CC1
InChIInChI=1S/C10H17NO3/c1-2-7-14-9(13)10(11)5-3-8(12)4-6-10/h2-7,11H2,1H3
InChIKeyZNNFOHBVIBBIFF-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.78
Rot. Bonds3

About propyl 1-amino-4-oxocyclohexane-1-carboxylate

propyl 1-amino-4-oxocyclohexane-1-carboxylate (PubChem CID 153351998) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is propyl 1-amino-4-oxocyclohexane-1-carboxylate.

Molecular Properties

Compound Namepropyl 1-amino-4-oxocyclohexane-1-carboxylate
PubChem CID153351998
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Namepropyl 1-amino-4-oxocyclohexane-1-carboxylate
SMILESCCCOC(=O)C1(N)CCC(=O)CC1
InChIInChI=1S/C10H17NO3/c1-2-7-14-9(13)10(11)5-3-8(12)4-6-10/h2-7,11H2,1H3
InChIKeyZNNFOHBVIBBIFF-UHFFFAOYSA-N
XLogP0.78
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

propyl 1-aminocycloheptane-1-carboxylate
CID 43248011
octyl 1-aminocyclohexane-1-carboxylate
CID 61303894
dodecyl 1-aminocyclopentane-1-carboxylate;hydrochloride
CID 155387692
hexyl 1-aminocyclohexane-1-carboxylate
CID 61301911
heptyl 1-amino-4-methylcyclohexane-1-carboxylate
CID 61302079
propyl 7-hydroxydispiro[2.0.24.13]heptane-7-carboxylate
CID 139428618
propyl 4-oxocyclohexane-1-carboxylate
CID 129121656
propyl 1-[[2-(4-chloro-2,6-dimethylphenyl)acetyl]amino]-4-oxocyclohexane-1-carboxylate
CID 155675546
propyl 4-ethylpiperidine-4-carboxylate
CID 63125915
ethyl 1-ethoxy-4-oxocyclohexane-1-carboxylate
CID 129073639
propyl 1-(2-acetyloxyethyl)-2-oxocyclopentane-1-carboxylate
CID 139990043
1-propoxycarbonylcyclobutane-1-carboxylic acid
CID 90449505

Frequently Asked Questions

What is the IUPAC name of propyl 1-amino-4-oxocyclohexane-1-carboxylate?
The IUPAC name of propyl 1-amino-4-oxocyclohexane-1-carboxylate (CID 153351998) is propyl 1-amino-4-oxocyclohexane-1-carboxylate.
What is the SMILES notation for propyl 1-amino-4-oxocyclohexane-1-carboxylate?
The canonical SMILES for propyl 1-amino-4-oxocyclohexane-1-carboxylate is CCCOC(=O)C1(N)CCC(=O)CC1.
What is the InChIKey of propyl 1-amino-4-oxocyclohexane-1-carboxylate?
The InChIKey is ZNNFOHBVIBBIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-2-7-14-9(13)10(11)5-3-8(12)4-6-10/h2-7,11H2,1H3.
What are the key properties of propyl 1-amino-4-oxocyclohexane-1-carboxylate?
propyl 1-amino-4-oxocyclohexane-1-carboxylate has a molecular weight of 199.25 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 1-amino-4-oxocyclohexane-1-carboxylate is sourced from PubChem (CID 153351998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).