2-[2-bicyclo[2.2.1]heptanylmethylcarbamoyl(methyl)amino]butanoic acid

C14H24N2O3 — CID 55232840

IUPAC2-[2-bicyclo[2.2.1]heptanylmethylcarbamoyl(methyl)amino]butanoic acid
SMILESCCC(C(=O)O)N(C)C(=O)NCC1CC2CCC1C2
InChIInChI=1S/C14H24N2O3/c1-3-12(13(17)18)16(2)14(19)15-8-11-7-9-4-5-10(11)6-9/h9-12H,3-8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyWMTYQCVTEWQSNJ-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.93
Rot. Bonds5

About 2-[2-bicyclo[2.2.1]heptanylmethylcarbamoyl(methyl)amino]butanoic acid

2-[2-bicyclo[2.2.1]heptanylmethylcarbamoyl(methyl)amino]butanoic acid (PubChem CID 55232840) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[2-bicyclo[2.2.1]heptanylmethylcarbamoyl(methyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[2-bicyclo[2.2.1]heptanylmethylcarbamoyl(methyl)amino]butanoic acid
PubChem CID55232840
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-[2-bicyclo[2.2.1]heptanylmethylcarbamoyl(methyl)amino]butanoic acid
SMILESCCC(C(=O)O)N(C)C(=O)NCC1CC2CCC1C2
InChIInChI=1S/C14H24N2O3/c1-3-12(13(17)18)16(2)14(19)15-8-11-7-9-4-5-10(11)6-9/h9-12H,3-8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyWMTYQCVTEWQSNJ-UHFFFAOYSA-N
XLogP1.93
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[methyl-[(2-methylcyclopentyl)methylcarbamoyl]amino]butanoic acid
CID 107419829
1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-ethylurea
CID 27276337
2-[(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)methyl]pentanoic acid
CID 65226271
4-[2-bicyclo[2.2.1]heptanylmethylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66267125
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloropropanamide
CID 63683466
2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanamide
CID 63682682
N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-3-oxobutanamide
CID 98153784
3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanoic acid
CID 63682304
3-[[[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]amino]methyl]pentanoic acid
CID 81068551
2-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylbutanoic acid
CID 78948127
4-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)-2-hydroxybutanoic acid
CID 114007519
4-(2-bicyclo[2.2.1]heptanylmethylamino)-2,2-dimethyl-4-oxobutanoic acid
CID 65299667

Frequently Asked Questions

What is the IUPAC name of 2-[2-bicyclo[2.2.1]heptanylmethylcarbamoyl(methyl)amino]butanoic acid?
The IUPAC name of 2-[2-bicyclo[2.2.1]heptanylmethylcarbamoyl(methyl)amino]butanoic acid (CID 55232840) is 2-[2-bicyclo[2.2.1]heptanylmethylcarbamoyl(methyl)amino]butanoic acid.
What is the SMILES notation for 2-[2-bicyclo[2.2.1]heptanylmethylcarbamoyl(methyl)amino]butanoic acid?
The canonical SMILES for 2-[2-bicyclo[2.2.1]heptanylmethylcarbamoyl(methyl)amino]butanoic acid is CCC(C(=O)O)N(C)C(=O)NCC1CC2CCC1C2.
What is the InChIKey of 2-[2-bicyclo[2.2.1]heptanylmethylcarbamoyl(methyl)amino]butanoic acid?
The InChIKey is WMTYQCVTEWQSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-3-12(13(17)18)16(2)14(19)15-8-11-7-9-4-5-10(11)6-9/h9-12H,3-8H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 2-[2-bicyclo[2.2.1]heptanylmethylcarbamoyl(methyl)amino]butanoic acid?
2-[2-bicyclo[2.2.1]heptanylmethylcarbamoyl(methyl)amino]butanoic acid has a molecular weight of 268.36 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bicyclo[2.2.1]heptanylmethylcarbamoyl(methyl)amino]butanoic acid is sourced from PubChem (CID 55232840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).