4-(2-bicyclo[2.2.1]heptanylmethylamino)-2,2-dimethyl-4-oxobutanoic acid

C14H23NO3 — CID 65299667

IUPAC4-(2-bicyclo[2.2.1]heptanylmethylamino)-2,2-dimethyl-4-oxobutanoic acid
SMILESCC(C)(CC(=O)NCC1CC2CCC1C2)C(=O)O
InChIInChI=1S/C14H23NO3/c1-14(2,13(17)18)7-12(16)15-8-11-6-9-3-4-10(11)5-9/h9-11H,3-8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyWSSFHHZMALZLQK-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.04
Rot. Bonds5

About 4-(2-bicyclo[2.2.1]heptanylmethylamino)-2,2-dimethyl-4-oxobutanoic acid

4-(2-bicyclo[2.2.1]heptanylmethylamino)-2,2-dimethyl-4-oxobutanoic acid (PubChem CID 65299667) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 4-(2-bicyclo[2.2.1]heptanylmethylamino)-2,2-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(2-bicyclo[2.2.1]heptanylmethylamino)-2,2-dimethyl-4-oxobutanoic acid
PubChem CID65299667
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name4-(2-bicyclo[2.2.1]heptanylmethylamino)-2,2-dimethyl-4-oxobutanoic acid
SMILESCC(C)(CC(=O)NCC1CC2CCC1C2)C(=O)O
InChIInChI=1S/C14H23NO3/c1-14(2,13(17)18)7-12(16)15-8-11-6-9-3-4-10(11)5-9/h9-11H,3-8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyWSSFHHZMALZLQK-UHFFFAOYSA-N
XLogP2.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(2-bicyclo[2.2.1]heptanylmethylamino)-2,2-dimethyl-4-oxobutanoic acid with MolForge

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Related Compounds

N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-3-oxobutanamide
CID 98153784
2,2-dimethyl-4-[(2-methylcyclopentyl)methylamino]-4-oxobutanoic acid
CID 107416703
2-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylbutanoic acid
CID 78948127
2-[2-(2-bicyclo[2.2.1]heptanylmethylamino)-2-oxoethoxy]acetic acid
CID 63683448
1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-ethylurea
CID 27276337
N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-(5-tert-butyl-1,3-oxazol-2-yl)propanamide
CID 100627632
2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbutanamide
CID 114290714
N-(2-bicyclo[2.2.1]heptanylmethyl)-3-piperidin-4-ylpropanamide
CID 63682104
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloropropanamide
CID 63683466
methyl 3-(2-bicyclo[2.2.1]heptanylmethylamino)-2,2-dimethylpropanoate
CID 79623458
1-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-[4-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylcarbamoylamino]butyl]urea
CID 124546515
2-(2-bicyclo[2.2.1]heptanyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide
CID 103895397

Frequently Asked Questions

What is the IUPAC name of 4-(2-bicyclo[2.2.1]heptanylmethylamino)-2,2-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-(2-bicyclo[2.2.1]heptanylmethylamino)-2,2-dimethyl-4-oxobutanoic acid (CID 65299667) is 4-(2-bicyclo[2.2.1]heptanylmethylamino)-2,2-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-(2-bicyclo[2.2.1]heptanylmethylamino)-2,2-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-(2-bicyclo[2.2.1]heptanylmethylamino)-2,2-dimethyl-4-oxobutanoic acid is CC(C)(CC(=O)NCC1CC2CCC1C2)C(=O)O.
What is the InChIKey of 4-(2-bicyclo[2.2.1]heptanylmethylamino)-2,2-dimethyl-4-oxobutanoic acid?
The InChIKey is WSSFHHZMALZLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-14(2,13(17)18)7-12(16)15-8-11-6-9-3-4-10(11)5-9/h9-11H,3-8H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 4-(2-bicyclo[2.2.1]heptanylmethylamino)-2,2-dimethyl-4-oxobutanoic acid?
4-(2-bicyclo[2.2.1]heptanylmethylamino)-2,2-dimethyl-4-oxobutanoic acid has a molecular weight of 253.34 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bicyclo[2.2.1]heptanylmethylamino)-2,2-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 65299667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).