3-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid

C15H18N2O5 — CID 4245901

IUPAC3-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCc1occc1C(=O)NNC(=O)C1C2CCC(C2)C1C(=O)O
InChIInChI=1S/C15H18N2O5/c1-7-10(4-5-22-7)13(18)16-17-14(19)11-8-2-3-9(6-8)12(11)15(20)21/h4-5,8-9,11-12H,2-3,6H2,1H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyZPRHAYJUTINVRW-UHFFFAOYSA-N
MW306.32 g/mol
LogP1.10
Rot. Bonds3

About 3-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid

3-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 4245901) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is 3-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name3-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID4245901
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Name3-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCc1occc1C(=O)NNC(=O)C1C2CCC(C2)C1C(=O)O
InChIInChI=1S/C15H18N2O5/c1-7-10(4-5-22-7)13(18)16-17-14(19)11-8-2-3-9(6-8)12(11)15(20)21/h4-5,8-9,11-12H,2-3,6H2,1H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyZPRHAYJUTINVRW-UHFFFAOYSA-N
XLogP1.10
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1R,2S,3R,4R)-3-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
CID 98219437
(1S,2S,3R,4R)-3-[[(3-methylthiophene-2-carbonyl)amino]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 11895842
(1S,2R,3R,4S)-3-[[(4-chlorobenzoyl)amino]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 51007728
1-N',4-N'-bis(2-methylfuran-3-carbonyl)benzene-1,4-dicarbohydrazide
CID 1011836
(1S,2R,3S,4S)-3-[[(5-bromofuran-2-carbonyl)amino]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 51017946
(1S,2S,3R,4S)-3-[[(5-methylthiophene-3-carbonyl)amino]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 98290446
3-[[(5-methylthiophene-3-carbonyl)amino]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 4205647
trans-(1S,2S)-2-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]cyclohexane-1-carboxylate
CID 2384128
(1S,2S,3R,4R)-3-[[(3-chlorobenzoyl)amino]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 11895856
N'-(2-methylfuran-3-carbonyl)-5-phenylpyrazolidine-3-carbohydrazide
CID 84865540
(1S,2S,3R,4S)-3-[[(3-ethoxybenzoyl)amino]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 98289479
N-[(2S)-2-cyclopropyl-1-hydroxypropan-2-yl]-2-methylfuran-3-carboxamide
CID 97002318

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 3-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid (CID 4245901) is 3-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 3-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 3-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid is Cc1occc1C(=O)NNC(=O)C1C2CCC(C2)C1C(=O)O.
What is the InChIKey of 3-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is ZPRHAYJUTINVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5/c1-7-10(4-5-22-7)13(18)16-17-14(19)11-8-2-3-9(6-8)12(11)15(20)21/h4-5,8-9,11-12H,2-3,6H2,1H3,(H,16,18)(H,17,19)(H,20,21).
What are the key properties of 3-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid?
3-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 306.32 g/mol, XLogP of 1.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 4245901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).