trans-(1S,2S)-2-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]cyclohexane-1-carboxylate

C14H17N2O5- — CID 2384128

IUPACtrans-(1S,2S)-2-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]cyclohexane-1-carboxylate
SMILESCc1occc1C(=O)NNC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-]
InChIInChI=1S/C14H18N2O5/c1-8-9(6-7-21-8)12(17)15-16-13(18)10-4-2-3-5-11(10)14(19)20/h6-7,10-11H,2-5H2,1H3,(H,15,17)(H,16,18)(H,19,20)/p-1/t10-,11-/m0/s1
InChIKeySCBVLKOAIFNQJQ-QWRGUYRKSA-M
MW293.30 g/mol
LogP-0.09
Rot. Bonds3

About trans-(1S,2S)-2-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]cyclohexane-1-carboxylate

trans-(1S,2S)-2-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]cyclohexane-1-carboxylate (PubChem CID 2384128) has the molecular formula C14H17N2O5- and a molecular weight of 293.30 g/mol. Its IUPAC name is trans-(1S,2S)-2-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]cyclohexane-1-carboxylate
PubChem CID2384128
Molecular FormulaC14H17N2O5-
Molecular Weight293.30 g/mol
Exact Mass293.11
IUPAC Nametrans-(1S,2S)-2-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]cyclohexane-1-carboxylate
SMILESCc1occc1C(=O)NNC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-]
InChIInChI=1S/C14H18N2O5/c1-8-9(6-7-21-8)12(17)15-16-13(18)10-4-2-3-5-11(10)14(19)20/h6-7,10-11H,2-5H2,1H3,(H,15,17)(H,16,18)(H,19,20)/p-1/t10-,11-/m0/s1
InChIKeySCBVLKOAIFNQJQ-QWRGUYRKSA-M
XLogP-0.09
TPSA111.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

trans-(1R,2R)-2-[[(4-methylbenzoyl)amino]carbamoyl]cyclohexane-1-carboxylate
CID 7311337
trans-(1R,2R)-2-[[(5-bromofuran-2-carbonyl)amino]carbamoyl]cyclohexane-1-carboxylate
CID 7310004
(1R,2S,3R,4R)-3-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
CID 98219437
3-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 4245901
1-N',4-N'-bis(2-methylfuran-3-carbonyl)benzene-1,4-dicarbohydrazide
CID 1011836
N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylfuran-3-carboxamide
CID 104927715
trans-(1R,2R)-2-[[(3-methyl-4-nitrobenzoyl)amino]carbamoyl]cyclohexane-1-carboxylate
CID 6949246
(1S)-2-[[(2-methylbenzoyl)amino]carbamoyl]cyclohexane-1-carboxylic acid
CID 46738364
N-(2-tert-butylcyclohexyl)-2-methylfuran-3-carboxamide
CID 17060539
cyclopentyl-(2-methylfuran-3-yl)methanone
CID 104789343
1-[(2-methylfuran-3-carbonyl)amino]-3-[2-(trifluoromethyl)cyclohexyl]thiourea
CID 123931750
2-methyl-N'-(3-methylsulfanylpropanoyl)furan-3-carbohydrazide
CID 34756674

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]cyclohexane-1-carboxylate?
The IUPAC name of trans-(1S,2S)-2-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]cyclohexane-1-carboxylate (CID 2384128) is trans-(1S,2S)-2-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]cyclohexane-1-carboxylate.
What is the SMILES notation for trans-(1S,2S)-2-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]cyclohexane-1-carboxylate?
The canonical SMILES for trans-(1S,2S)-2-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]cyclohexane-1-carboxylate is Cc1occc1C(=O)NNC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-].
What is the InChIKey of trans-(1S,2S)-2-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]cyclohexane-1-carboxylate?
The InChIKey is SCBVLKOAIFNQJQ-QWRGUYRKSA-M. The full InChI is InChI=1S/C14H18N2O5/c1-8-9(6-7-21-8)12(17)15-16-13(18)10-4-2-3-5-11(10)14(19)20/h6-7,10-11H,2-5H2,1H3,(H,15,17)(H,16,18)(H,19,20)/p-1/t10-,11-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]cyclohexane-1-carboxylate?
trans-(1S,2S)-2-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]cyclohexane-1-carboxylate has a molecular weight of 293.30 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 2384128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).