carbamoyl 2-aminocyclohexane-1-carboxylate

C8H14N2O3 — CID 91289585

IUPACcarbamoyl 2-aminocyclohexane-1-carboxylate
SMILESNC(=O)OC(=O)C1CCCCC1N
InChIInChI=1S/C8H14N2O3/c9-6-4-2-1-3-5(6)7(11)13-8(10)12/h5-6H,1-4,9H2,(H2,10,12)
InChIKeySNOAXGFGIKQMLZ-UHFFFAOYSA-N
MW186.21 g/mol
LogP0.13
Rot. Bonds1

About carbamoyl 2-aminocyclohexane-1-carboxylate

carbamoyl 2-aminocyclohexane-1-carboxylate (PubChem CID 91289585) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is carbamoyl 2-aminocyclohexane-1-carboxylate.

Molecular Properties

Compound Namecarbamoyl 2-aminocyclohexane-1-carboxylate
PubChem CID91289585
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Namecarbamoyl 2-aminocyclohexane-1-carboxylate
SMILESNC(=O)OC(=O)C1CCCCC1N
InChIInChI=1S/C8H14N2O3/c9-6-4-2-1-3-5(6)7(11)13-8(10)12/h5-6H,1-4,9H2,(H2,10,12)
InChIKeySNOAXGFGIKQMLZ-UHFFFAOYSA-N
XLogP0.13
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

trans-methyl (1S,2S)-2-aminocyclohexane-1-carboxylate;hydrochloride
CID 91754378
cyclohexyl 2-aminocyclohexane-1-carboxylate
CID 64816672
cis-(2,2,2-trifluoroacetyl) (1S,2R)-2-aminocyclopentane-1-carboxylate
CID 118354192
trans-(1R,2R)-2-aminocycloheptane-1-carboxamide
CID 95970217
cyclohexylmethyl 2-aminocyclohexane-1-carboxylate
CID 64817458
cis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid
CID 2724639
(2-aminocycloheptyl)-cyclopropylmethanone
CID 116595315
cis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid;hydrobromide
CID 24751167
cis-(1S,2R)-2-aminocyclopentane-1-carboxamide;hydrochloride
CID 122236355
cis-(1R,2S)-2-aminocycloheptane-1-carboxylic acid;cis-(1S,2R)-2-aminocycloheptane-1-carboxylic acid
CID 127239829
ethyl 2-aminocyclopentane-1-carboxylate;hydrochloride
CID 22258377
trans-(1S,2S)-2-aminocycloheptane-1-carboxylic acid;hydrochloride
CID 131632809

Frequently Asked Questions

What is the IUPAC name of carbamoyl 2-aminocyclohexane-1-carboxylate?
The IUPAC name of carbamoyl 2-aminocyclohexane-1-carboxylate (CID 91289585) is carbamoyl 2-aminocyclohexane-1-carboxylate.
What is the SMILES notation for carbamoyl 2-aminocyclohexane-1-carboxylate?
The canonical SMILES for carbamoyl 2-aminocyclohexane-1-carboxylate is NC(=O)OC(=O)C1CCCCC1N.
What is the InChIKey of carbamoyl 2-aminocyclohexane-1-carboxylate?
The InChIKey is SNOAXGFGIKQMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c9-6-4-2-1-3-5(6)7(11)13-8(10)12/h5-6H,1-4,9H2,(H2,10,12).
What are the key properties of carbamoyl 2-aminocyclohexane-1-carboxylate?
carbamoyl 2-aminocyclohexane-1-carboxylate has a molecular weight of 186.21 g/mol, XLogP of 0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoyl 2-aminocyclohexane-1-carboxylate is sourced from PubChem (CID 91289585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).